7FT5
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![BU of 7ft5 by Molmil](/molmil-images/mine/7ft5) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0093 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methoxyphenyl)oxane-4-carboxylic acid, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSO
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![BU of 7fso by Molmil](/molmil-images/mine/7fso) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z198195770 | Descriptor: | 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSQ
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![BU of 7fsq by Molmil](/molmil-images/mine/7fsq) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1429867185 | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSS
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![BU of 7fss by Molmil](/molmil-images/mine/7fss) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z839706072 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FSZ
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![BU of 7fsz by Molmil](/molmil-images/mine/7fsz) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z3006151474 | Descriptor: | (5S)-5-(difluoromethoxy)pyridin-2(5H)-one, 1,2-ETHANEDIOL, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FT4
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![BU of 7ft4 by Molmil](/molmil-images/mine/7ft4) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z48847594 | Descriptor: | 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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7FT3
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![BU of 7ft3 by Molmil](/molmil-images/mine/7ft3) | SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z291279160 | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, ALANINE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | Deposit date: | 2023-01-24 | Release date: | 2023-02-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | SDCBP PanDDA analysis group deposition To Be Published
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8G63
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![BU of 8g63 by Molmil](/molmil-images/mine/8g63) | |
2Q73
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![BU of 2q73 by Molmil](/molmil-images/mine/2q73) | Crystal structure of iMazG from Vibrio DAT 722: Ctag-iMazG (P41212) | Descriptor: | Hypothetical protein, MAGNESIUM ION | Authors: | Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | Deposit date: | 2007-06-05 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype. Mol.Microbiol., 66, 2007
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3KBE
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![BU of 3kbe by Molmil](/molmil-images/mine/3kbe) | Metal-free C. elegans Cu,Zn Superoxide Dismutase | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J. | Deposit date: | 2009-10-20 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase To be Published
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1LOY
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![BU of 1loy by Molmil](/molmil-images/mine/1loy) | X-ray structure of the H40A/E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1 | Authors: | Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S. | Deposit date: | 2002-05-07 | Release date: | 2002-08-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study J.Biol.Chem., 277, 2002
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1YL8
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![BU of 1yl8 by Molmil](/molmil-images/mine/1yl8) | 3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO | Descriptor: | [Tyr3]Octreotate peptide | Authors: | Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P. | Deposit date: | 2005-01-19 | Release date: | 2005-09-20 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | 3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation. Med.Chem., 1, 2005
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5OOP
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![BU of 5oop by Molmil](/molmil-images/mine/5oop) | Structure of CHK1 10-pt. mutant complex with AMP-PNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | Deposit date: | 2017-08-08 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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8DUA
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![BU of 8dua by Molmil](/molmil-images/mine/8dua) | SIV E660.CR54 SOS-2P Env Trimer with ITS92.02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Envelope glycoprotein gp41, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-07-27 | Release date: | 2022-10-26 | Last modified: | 2022-11-30 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Cryo-EM structures of prefusion SIV envelope trimer. Nat.Struct.Mol.Biol., 29, 2022
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3OW4
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![BU of 3ow4 by Molmil](/molmil-images/mine/3ow4) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1YL9
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![BU of 1yl9 by Molmil](/molmil-images/mine/1yl9) | 3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO | Descriptor: | 3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL, [Tyr3]Octreotate | Authors: | Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P. | Deposit date: | 2005-01-19 | Release date: | 2005-09-20 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | 3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation. Med.Chem., 1, 2005
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4R4F
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![BU of 4r4f by Molmil](/molmil-images/mine/4r4f) | Crystal structure of non-neutralizing, A32-like antibody 2.2c in complex with HIV-1 YU2 gp120 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c LIGHT CHAIN, ... | Authors: | Acharya, P, Kwong, P.D. | Deposit date: | 2014-08-19 | Release date: | 2014-09-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.514 Å) | Cite: | Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection. J.Virol., 88, 2014
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2Q8Z
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![BU of 2q8z by Molmil](/molmil-images/mine/2q8z) | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-UMP | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-AMINOURIDINE 5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F. | Deposit date: | 2007-06-12 | Release date: | 2008-01-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase. J.Med.Chem., 51, 2008
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1B7I
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![BU of 1b7i by Molmil](/molmil-images/mine/1b7i) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 K61R | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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5OP5
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![BU of 5op5 by Molmil](/molmil-images/mine/5op5) | Structure of CHK1 10-pt. mutant complex with pyrrolopyrimidine LRRK2 inhibitor | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | Deposit date: | 2017-08-09 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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3ZVY
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![BU of 3zvy by Molmil](/molmil-images/mine/3zvy) | PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ... | Authors: | Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P. | Deposit date: | 2011-07-28 | Release date: | 2011-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers. Plos One, 6, 2011
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3I5E
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![BU of 3i5e by Molmil](/molmil-images/mine/3i5e) | |
8G58
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![BU of 8g58 by Molmil](/molmil-images/mine/8g58) | |
3P1C
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![BU of 3p1c by Molmil](/molmil-images/mine/3p1c) | Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine | Descriptor: | CREB-binding protein, N(6)-ACETYLLYSINE, POTASSIUM ION, ... | Authors: | Filippakopoulos, P, Picaud, S, Feletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-30 | Release date: | 2010-11-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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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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