6HPX
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![BU of 6hpx by Molmil](/molmil-images/mine/6hpx) | Crystal structure of ENL (MLLT1) in complex with compound 19 | Descriptor: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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7Q8A
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![BU of 7q8a by Molmil](/molmil-images/mine/7q8a) | Crystal structure of tandem domain RRM1-2 of FUBP-interacting repressor (FIR) bound to FUSE ssDNA fragment | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(P*GP*T)-3'), Poly(U)-binding-splicing factor PUF60, ... | Authors: | Ni, X, Joerger, A.C, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-10 | Release date: | 2022-11-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of tandem domain RRM1-2 of FIR bound to FUSE ssDNA fragment To Be Published
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6HPZ
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![BU of 6hpz by Molmil](/molmil-images/mine/6hpz) | Crystal structure of ENL (MLLT1) in complex with acetyllysine | Descriptor: | 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, Protein ENL | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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6HPW
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![BU of 6hpw by Molmil](/molmil-images/mine/6hpw) | Crystal structure of ENL (MLLT1) in complex with compound 20 | Descriptor: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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6HQ0
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![BU of 6hq0 by Molmil](/molmil-images/mine/6hq0) | Crystal structure of ENL (MLLT1), apo form | Descriptor: | 1,2-ETHANEDIOL, Protein ENL | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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6HT0
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![BU of 6ht0 by Molmil](/molmil-images/mine/6ht0) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94 | Descriptor: | 1,2-ETHANEDIOL, 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-10-02 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angew. Chem. Int. Ed. Engl., 57, 2018
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6HT1
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![BU of 6ht1 by Molmil](/molmil-images/mine/6ht1) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92) | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ... | Authors: | Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-10-02 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angew. Chem. Int. Ed. Engl., 57, 2018
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6HPY
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![BU of 6hpy by Molmil](/molmil-images/mine/6hpy) | Crystal structure of ENL (MLLT1) in complex with compound 12 | Descriptor: | 1,2-ETHANEDIOL, 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid, Protein ENL, ... | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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2X57
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![BU of 2x57 by Molmil](/molmil-images/mine/2x57) | Crystal structure of the extracellular domain of human Vasoactive intestinal polypeptide receptor 2 | Descriptor: | VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR 2 | Authors: | Pike, A.C.W, Barr, A.J, Quigley, A, Burgess Brown, N, de Riso, A, Bullock, A, Berridge, G, Muniz, J.R.C, Chaikaud, A, Vollmar, M, Krojer, T, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | Deposit date: | 2010-02-05 | Release date: | 2010-03-09 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Extracellular Domain of Human Vasoactive Intestinal Polypeptide Receptor 2 To be Published
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2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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4B8W
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![BU of 4b8w by Molmil](/molmil-images/mine/4b8w) | Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, tetragonal crystal form | Descriptor: | GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Pike, A, Chaikuat, A, Carpenter, E, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2012-08-31 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Tetragonal Crystal Form To be Published
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4ASX
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![BU of 4asx by Molmil](/molmil-images/mine/4asx) | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dihydro-Bauerine C | Descriptor: | 1,2-ETHANEDIOL, 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one, ACTIVIN RECEPTOR TYPE-2A | Authors: | Williams, E, Chaikuad, A, Canning, P, Kochan, G, Mahajan, P, Cooper, C.D.O, Beltrami, A, Krojer, T, Pohl, B, Bracher, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A. | Deposit date: | 2012-05-03 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of Activin Receptor Type-Iia (Acvr2A) Kinase Domain in Complex with a Beta- Carboline Inhibitor To be Published
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3S95
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![BU of 3s95 by Molmil](/molmil-images/mine/3s95) | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Beltrami, A, Chaikuad, A, Daga, N, Elkins, J.M, Mahajan, P, Savitsky, P, Vollmar, M, Krojer, T, Muniz, J.R.C, Fedorov, O, Allerston, C.K, Yue, W.W, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the human LIMK1 kinase domain in complex with staurosporine To be Published
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2XDG
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![BU of 2xdg by Molmil](/molmil-images/mine/2xdg) | Crystal structure of the extracellular domain of human growth hormone releasing hormone receptor. | Descriptor: | 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION | Authors: | Pike, A.C.W, Quigley, A, Barr, A.J, Burgess Brown, N, Shrestha, L, Yang, J, Chaikuad, A, Vollmar, M, Muniz, J.R.C, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | Deposit date: | 2010-04-30 | Release date: | 2010-06-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the Extracellular Domain of Human Growth Hormone Releasing Hormone Receptor. To be Published
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4O38
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![BU of 4o38 by Molmil](/molmil-images/mine/4o38) | Crystal structure of the human cyclin G associated kinase (GAK) | Descriptor: | Cyclin-G-associated kinase, GLYCEROL, SUCCINIC ACID | Authors: | Zhang, R, Hatzos-Skintges, C, Weger, A, Chaikuad, A, Eswaran, J, Fedorov, O, King, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-18 | Release date: | 2014-01-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Crystal structure of the human cyclin G associated kinase (GAK) To be Published
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3LM5
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![BU of 3lm5 by Molmil](/molmil-images/mine/3lm5) | Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B | Authors: | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-29 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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3MDZ
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![BU of 3mdz by Molmil](/molmil-images/mine/3mdz) | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | Authors: | Ugochukwu, E, Shafqat, N, Pilka, E, Chaikuad, A, Krojer, T, Muniz, J, Kim, J, Bray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Carpenter, E.P, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-03-31 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7 to be published
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3K2J
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![BU of 3k2j by Molmil](/molmil-images/mine/3k2j) | Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | Descriptor: | CHLORIDE ION, Protein polybromo-1, SULFATE ION | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Chaikuad, A, Pike, A.C.W, Krojer, T, Sethi, R, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-30 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) To be Published
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2WWY
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![BU of 2wwy by Molmil](/molmil-images/mine/2wwy) | Structure of human RECQ-like helicase in complex with a DNA substrate | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*DA DG DC DG DT DC DG DA DG DA DT DC DCP)-3', ATP-DEPENDENT DNA HELICASE Q1, ... | Authors: | Pike, A.C.W, Zhang, Y, Schnecke, C, Chaikuad, A, Krojer, T, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2009-10-30 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Recq1 Helicase-Driven DNA Unwinding, Annealing, and Branch Migration: Insights from DNA Complex Structures Proc.Natl.Acad.Sci.USA, 112, 2015
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3GP0
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![BU of 3gp0 by Molmil](/molmil-images/mine/3gp0) | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 11, ... | Authors: | Filippakopoulos, P, Barr, A, Fedorov, O, Keates, T, Soundararajan, M, Elkins, J, Salah, E, Burgess-Brown, N, Ugochukwu, E, Pike, A.C.W, Muniz, J, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-20 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Mitogen Activated Protein Kinase 11 (p38 beta) in complex with Nilotinib To be Published
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2WM8
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![BU of 2wm8 by Molmil](/molmil-images/mine/2wm8) | Crystal structure of human magnesium-dependent phosphatase 1 of the haloacid dehalogenase superfamily (MGC5987) | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM-DEPENDENT PHOSPHATASE 1 | Authors: | Yue, W.W, Shafqat, N, Pike, A.C.W, Chaikuad, A, Bray, J.E, Pilka, E.W, Burgess-Brown, N, Hapka, E, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2009-06-30 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of Human Magnesium-Dependent Phosphatase 1 of the Haloacid Dehalogenase Superfamily (Mgc5987) To be Published
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2X18
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![BU of 2x18 by Molmil](/molmil-images/mine/2x18) | The crystal structure of the PH domain of human AKT3 protein kinase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RAC-GAMMA SERINE/THREONINE-PROTEIN KINASE | Authors: | Vollmar, M, Wang, J, Zhang, Y, Elkins, J.M, Burgess-Brown, N, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2009-12-22 | Release date: | 2010-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The Crystal Structure of the Ph Domain of Human Akt3 Protein Kinase To be Published
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4B4O
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![BU of 4b4o by Molmil](/molmil-images/mine/4b4o) | Crystal Structure of human epimerase family protein SDR39U1 (isoform2) with NADPH | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, EPIMERASE FAMILY PROTEIN SDR39U1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vollmar, M, Muniz, J.R.C, Shafqat, N, Picaud, S, Krojer, T, Chaikuad, A, Pike, A.C.W, Yue, W.W, Filippakopoulos, P, Kavanagh, K.L, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2012-07-31 | Release date: | 2012-08-29 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Epimerase Family Protein Sdr39U1 (Isoform2) with Nadph To be Published
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2XVT
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![BU of 2xvt by Molmil](/molmil-images/mine/2xvt) | Structure of the extracellular domain of human RAMP2 | Descriptor: | CALCIUM ION, RECEPTOR ACTIVITY-MODIFYING PROTEIN 2 | Authors: | Quigley, A, Pike, A.C.W, Burgess-Brown, N, Krojer, T, Shrestha, L, Goubin, S, Kim, J, Das, S, Muniz, J.R.C, Canning, P, Chaikuad, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Barr, A.J, Carpenter, E.P. | Deposit date: | 2010-10-31 | Release date: | 2010-12-29 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the Extracellular Domain of Human Ramp2 To be Published
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3HMI
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![BU of 3hmi by Molmil](/molmil-images/mine/3hmi) | The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Tyrosine-protein kinase ABL2 | Authors: | Ugochukwu, E, Salah, E, Barr, A, Mahajan, P, Shrestha, B, Savitsky, P, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-29 | Release date: | 2009-07-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE To be Published
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