4EPH
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![BU of 4eph by Molmil](/molmil-images/mine/4eph) | CRYSTAL STRUCTURE OF RAT CARNITINE PALMITOYLTRANSFERASE 2 IN COMPLEX with CoA-site inhibitor | Descriptor: | 2-chloro-4-[({1-[(5-chloro-2-methoxyphenyl)sulfonyl]-4-methyl-2,3-dihydro-1H-indol-6-yl}carbonyl)amino]benzoic acid, Carnitine O-palmitoyltransferase 2, mitochondrial, ... | Authors: | Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M. | Deposit date: | 2012-04-17 | Release date: | 2013-04-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein. FEBS Open Bio, 3, 2013
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4KSQ
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![BU of 4ksq by Molmil](/molmil-images/mine/4ksq) | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B | Descriptor: | N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Masanori, O. | Deposit date: | 2013-05-17 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives. J.Med.Chem., 56, 2013
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5APA
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![BU of 5apa by Molmil](/molmil-images/mine/5apa) | Crystal structure of human aspartate beta-hydroxylase isoform a | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ... | Authors: | Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | Deposit date: | 2015-09-15 | Release date: | 2015-09-23 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun, 10, 2019
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4KSP
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![BU of 4ksp by Molmil](/molmil-images/mine/4ksp) | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 | Descriptor: | N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Masanori, O. | Deposit date: | 2013-05-17 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives. J.Med.Chem., 56, 2013
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4HVK
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![BU of 4hvk by Molmil](/molmil-images/mine/4hvk) | Crystal structure and functional studies of an unusual L-cysteine desulfurase from Archaeoglobus fulgidus. | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yamanaka, Y, Zeppieri, L, Nicolet, Y, Marinoni, E.N, de Oliveira, J.S, Masafumi, O, Dean, D.R, Fontecilla-Camps, J.C. | Deposit date: | 2012-11-06 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure and functional studies of an unusual L-cysteine desulfurase from Archaeoglobus fulgidus. Dalton Trans, 42, 2013
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1LB4
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![BU of 1lb4 by Molmil](/molmil-images/mine/1lb4) | TRAF6 apo structure | Descriptor: | TNF receptor-associated factor 6 | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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3GOA
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![BU of 3goa by Molmil](/molmil-images/mine/3goa) | Crystal structure of the Salmonella typhimurium FadA 3-ketoacyl-CoA thiolase | Descriptor: | 3-ketoacyl-CoA thiolase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Anderson, S.M, Skarina, T, Onopriyenko, O, Wawrzak, Z, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-03-18 | Release date: | 2009-03-31 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: |
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3H9R
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![BU of 3h9r by Molmil](/molmil-images/mine/3h9r) | Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin | Descriptor: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-30 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva. J.Biol.Chem., 287, 2012
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3G2F
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![BU of 3g2f by Molmil](/molmil-images/mine/3g2f) | Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | Authors: | Chaikuad, A, Thangaratnarajah, C, Roos, A.K, Filippakopoulos, P, Salah, E, Phillips, C, Keates, T, Fedorov, O, Chalk, R, Petrie, K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-31 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension. Sci Rep, 9, 2019
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1LB5
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![BU of 1lb5 by Molmil](/molmil-images/mine/1lb5) | TRAF6-RANK Complex | Descriptor: | TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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1LB6
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![BU of 1lb6 by Molmil](/molmil-images/mine/1lb6) | TRAF6-CD40 Complex | Descriptor: | CD40 antigen, TNF receptor-associated factor 6 | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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6C62
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![BU of 6c62 by Molmil](/molmil-images/mine/6c62) | An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. | Descriptor: | AtzG, Biuret hydrolase, MAGNESIUM ION | Authors: | Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C. | Deposit date: | 2018-01-17 | Release date: | 2018-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme. J. Biol. Chem., 293, 2018
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6C6G
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![BU of 6c6g by Molmil](/molmil-images/mine/6c6g) | An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. Inhibitor bound complex. | Descriptor: | AtzG, Biuret hydrolase, CALCIUM ION | Authors: | Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C. | Deposit date: | 2018-01-18 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme. J. Biol. Chem., 293, 2018
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6CNW
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![BU of 6cnw by Molmil](/molmil-images/mine/6cnw) | STRUCTURE OF HUMANIZED SINGLE DOMAIN ANTIBODY SD84 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, humanized antibody SD84h | Authors: | Luo, J, Obmolova, O. | Deposit date: | 2018-03-09 | Release date: | 2018-11-14 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin. Science, 362, 2018
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6EHN
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![BU of 6ehn by Molmil](/molmil-images/mine/6ehn) | Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome | Descriptor: | Carbohydrate esterase MZ0003, GLYCEROL | Authors: | Helland, R, De Santi, C, Gani, O, Williamson, A.K. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into a CE15 esterase from the marine bacterial metagenome. Sci Rep, 7, 2017
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3IQ7
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![BU of 3iq7 by Molmil](/molmil-images/mine/3iq7) | Crystal Structure of human Haspin in complex with 5-Iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Burgess-Brown, N, Fedorov, O, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-19 | Release date: | 2009-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and functional characterization of the atypical human kinase haspin. Proc.Natl.Acad.Sci.USA, 106, 2009
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3ICF
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![BU of 3icf by Molmil](/molmil-images/mine/3icf) | Structure of Protein serine/threonine phosphatase from Saccharomyces cerevisiae with similarity to human phosphatase PP5 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | Authors: | Singer, A.U, Xu, X, Chang, C, Cui, H, Kagan, O, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-17 | Release date: | 2009-08-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Protein serine/threonine phosphatase from Saccharomyces cerevisiae with similarity to human phosphatase PP5 To be Published
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6DT4
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![BU of 6dt4 by Molmil](/molmil-images/mine/6dt4) | 1.8 Angstrom Resolution Crystal Structure of cAMP-Regulatory Protein from Yersinia pestis in Complex with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, Cyclic AMP receptor protein | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Ritzert, J.T.H, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-06-15 | Release date: | 2018-06-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Cyclic AMP Receptor Protein Regulates Quorum Sensing and Global Gene Expression in Yersinia pestis during Planktonic Growth and Growth in Biofilms. Mbio, 10, 2019
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1P99
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![BU of 1p99 by Molmil](/molmil-images/mine/1p99) | 1.7A crystal structure of protein PG110 from Staphylococcus aureus | Descriptor: | GLYCINE, Hypothetical protein PG110, METHIONINE | Authors: | Zhang, R, Zhou, M, Joachimiak, G, Schneewind, O, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-05-09 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The membrane-associated lipoprotein-9 GmpC from Staphylococcus aureus binds the dipeptide GlyMet via side chain interactions. Biochemistry, 43, 2004
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6CNH
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![BU of 6cnh by Molmil](/molmil-images/mine/6cnh) | Human PRPF4B in complex with Rebastinib | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Godoi, P.H.C, Santiago, A.S, Ramos, P.Z, Fala, A.M, Salmazo, A.P.T, Counago, R.M, Righetto, G.L, Silva, P.N.B, Gileadi, O, Guimaraes, C.R.W, Massirer, K.B, Arruda, P, Elkins, J.M, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-08 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the human PRPF4B in complex with Rebastinib To be Published
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3GG3
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![BU of 3gg3 by Molmil](/molmil-images/mine/3gg3) | Crystal Structure of the Bromodomain of Human PCAF | Descriptor: | CHLORIDE ION, Histone acetyltransferase PCAF | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Rehana, K, Fedorov, O, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-02-27 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3HHK
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![BU of 3hhk by Molmil](/molmil-images/mine/3hhk) | HCV NS5b polymerase complex with a substituted benzothiadizine | Descriptor: | 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase | Authors: | Concha, N.O, Singh, O. | Deposit date: | 2009-05-15 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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3IR3
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![BU of 3ir3 by Molmil](/molmil-images/mine/3ir3) | Crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (HTD2) | Descriptor: | 3-hydroxyacyl-thioester dehydratase 2, MALONATE ION | Authors: | Ugochukwu, E, Cocking, R, Burgess-Brown, N, Pilka, E, Muniz, J, Krojer, T, Chaikuad, A, Gileadi, O, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-21 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (HTD2) To be Published
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3JPV
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![BU of 3jpv by Molmil](/molmil-images/mine/3jpv) | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand | Descriptor: | 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-04 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors. J.Med.Chem., 52, 2009
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1PT6
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![BU of 1pt6 by Molmil](/molmil-images/mine/1pt6) | I domain from human integrin alpha1-beta1 | Descriptor: | GLYCEROL, Integrin alpha-1, MAGNESIUM ION | Authors: | Nymalm, Y, Puranen, J.S, Nyholm, T.K.M, Kapyla, J, Kidron, H, Pentikainen, O, Airenne, T.T, Heino, J, Slotte, J.P, Johnson, M.S, Salminen, T.A. | Deposit date: | 2003-06-23 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Jararhagin-derived RKKH peptides induce structural changes in alpha1I domain of human integrin alpha1beta1. J.Biol.Chem., 279, 2004
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