3BG4
 
 | | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Kim, H, Chu, T.T.T, Kim, D.Y, Kim, D.R, Nguyen, C.M.T, Choi, J, Lee, J.R, Hahn, M.J, Kim, K.K. | | Deposit date: | 2007-11-26 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor.
J.Mol.Biol., 376, 2008
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4N23
 | | Crystal structure of the GP2 Core Domain from the California Academy of Science Virus, monoclinic symmetry | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GP2 Ectodomain | | Authors: | Malashkevich, V.N, Koellhoffer, J.F, Dai, Z, Toro, R, Lai, J.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-10-04 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of the Glycoprotein GP2 Core Domain from the CAS Virus, a Novel Arenavirus-Like Species.
J.Mol.Biol., 426, 2014
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2A7L
 | | Structure of the human hypothetical ubiquitin-conjugating enzyme, LOC55284 | | Descriptor: | Hypothetical ubiquitin-conjugating enzyme LOC55284, SODIUM ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-05 | | Release date: | 2005-09-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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3F5X
 | | CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site | | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ... | | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | Deposit date: | 2008-11-04 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
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4IMV
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3F0N
 | | Mus Musculus Mevalonate Pyrophosphate Decarboxylase | | Descriptor: | MEVALONATE PYROPHOSPHATE DECARBOXYLASE, PHOSPHATE ION | | Authors: | Walker, J.R, Davis, T, Vesterberg, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-10-25 | | Release date: | 2008-11-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Mus Musculus Mevalonate Pyrophosphate Decarboxylase
To be Published
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3KVA
 | | Structure of KIAA1718 Jumonji domain in complex with alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | | Deposit date: | 2009-11-29 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
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4IGB
 | | Crystal structure of the N-terminal domain of the Streptococcus gordonii adhesin Sgo0707 | | Descriptor: | ACETATE ION, GLYCEROL, LPXTG cell wall surface protein, ... | | Authors: | Nylander, A, Svensater, G, Senadheera, D.B, Cvitkovitch, D.G, Davies, J.R, Persson, K. | | Deposit date: | 2012-12-17 | | Release date: | 2013-06-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and Functional Analysis of the N-terminal Domain of the Streptococcus gordonii Adhesin Sgo0707
Plos One, 8, 2013
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3F5K
 | | Semi-active E176Q mutant of rice BGlu1, a plant exoglucanase/beta-glucosidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | | Deposit date: | 2008-11-03 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase
J.Struct.Biol., 173, 2011
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3KV6
 | | Structure of KIAA1718, human Jumonji demethylase, in complex with alpha-ketoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | | Deposit date: | 2009-11-29 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
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4IBM
 | | Crystal structure of insulin receptor kinase domain in complex with an inhibitor Irfin-1 | | Descriptor: | 5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-3H-pyrazolo[3,4-c]pyridazin-3-one, Insulin receptor | | Authors: | Wu, J, Anastassiadis, T, Duong-Ly, K.C, Peterson, J.R. | | Deposit date: | 2012-12-08 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A highly selective dual insulin receptor (IR)/insulin-like growth factor 1 receptor (IGF-1R) inhibitor derived from an extracellular signal-regulated kinase (ERK) inhibitor.
J.Biol.Chem., 288, 2013
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2ADT
 | | NMR structure of a 30 kDa GAAA tetraloop-receptor complex. | | Descriptor: | 43-MER | | Authors: | Davis, J.H, Tonelli, M, Scott, L.G, Jaeger, L, Williamson, J.R, Butcher, S.E. | | Deposit date: | 2005-07-20 | | Release date: | 2005-07-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | RNA Helical Packing in Solution: NMR Structure of a 30 kDa GAAA Tetraloop-Receptor Complex
J.Mol.Biol., 351, 2005
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3KRY
 | | Crystal structure of MMP-13 in complex with SC-78080 | | Descriptor: | 1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide, CALCIUM ION, Collagenase 3, ... | | Authors: | Kiefer, J.R, Williams, J.M, Becker, D.P. | | Deposit date: | 2009-11-19 | | Release date: | 2010-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Orally-active MMP-1 sparing alpha-tetrahydropyranyl and alpha-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease
J.Med.Chem., 53, 2010
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3L1Y
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2A4D
 | | Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1) | | Descriptor: | Ubiquitin-conjugating enzyme E2 variant 1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-28 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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4MYY
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3DKM
 | | Crystal structure of the HECTD1 CPH domain | | Descriptor: | E3 ubiquitin-protein ligase HECTD1 | | Authors: | Walker, J.R, Qiu, L, Li, Y, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-25 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the CPH domain of the E3 ubiquitin-protein ligase HECTD1.
To be Published
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4MYZ
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3KXO
 | | An orally active inhibitor bound at the active site of HPGDS | | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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4JIU
 | | Crystal structure of the metallopeptidase zymogen of Pyrococcus abyssi abylysin | | Descriptor: | GLYCEROL, Proabylysin, ZINC ION | | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | | Deposit date: | 2013-03-07 | | Release date: | 2013-06-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases
J.Biol.Chem., 288, 2013
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3LIJ
 | | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP | | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, MAGNESIUM ION, ... | | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-25 | | Release date: | 2010-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
To be Published
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4IL6
 | | Structure of Sr-substituted photosystem II | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R. | | Deposit date: | 2012-12-29 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
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3LFC
 | | Human p38 MAP Kinase in Complex with RL99 | | Descriptor: | (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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3LJZ
 | | Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound | | Descriptor: | (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Shieh, H.-S, Kiefer, J.R. | | Deposit date: | 2010-01-26 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure analysis reveals the flexibility of the ADAMTS-5 active site.
Protein Sci., 20, 2011
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4IPE
 | | Crystal structure of mitochondrial Hsp90 (TRAP1) with AMPPNP | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | | Deposit date: | 2013-01-09 | | Release date: | 2014-01-22 | | Last modified: | 2014-08-27 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism.
Mol.Cell, 53, 2014
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