3TTI
 
 | | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | | Deposit date: | 2011-09-14 | | Release date: | 2012-02-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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3BIS
 | | Crystal Structure of the PD-L1 | | Descriptor: | Programmed cell death 1 ligand 1 | | Authors: | Lin, D.Y, Tanaka, Y, Iwasaki, M, Gittis, A.G, Su, H.P, Mikami, B, Okazaki, T, Honjo, T, Minato, N, Garboczi, D.N. | | Deposit date: | 2007-11-30 | | Release date: | 2008-02-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The PD-1/PD-L1 complex resembles the antigen-binding Fv domains of antibodies and T cell receptors.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3A0A
 | | Structure of (PPG)4-OPG-(PPG)4, monoclinic, twinned crystal | | Descriptor: | collagen-like peptide | | Authors: | Okuyama, K, Morimoto, T, Hongo, C, Katagiri, A, Tanaka, Y, Nishino, N. | | Deposit date: | 2009-03-13 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystal structure of (PPG)4-OPG-(PPG)4
To be Published
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3TTJ
 | | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | | Deposit date: | 2011-09-14 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
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1SJ6
 | | NMR Structure and Regulated Expression in APL Cell of Human SH3BGRL3 | | Descriptor: | SH3 domain-binding glutamic acid-rich-like protein 3 | | Authors: | Xu, C, Tang, Y, Xu, Y, Wu, J, Shi, Y, Zhang, Q, Zheng, P, Du, Y. | | Deposit date: | 2004-03-03 | | Release date: | 2005-03-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR structure and regulated expression in APL cell of human SH3BGRL3.
Febs Lett., 579, 2005
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2QO3
 | | Crystal Structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, ACETATE ION, ... | | Authors: | Khosla, C, Cane, E.D, Tang, Y, Chen, Y.A, Kim, C.Y. | | Deposit date: | 2007-07-19 | | Release date: | 2007-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural and mechanistic analysis of protein interactions in module 3 of the 6-deoxyerythronolide B synthase
Chem.Biol., 14, 2007
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1WZF
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1SMF
 | | Studies on an artificial trypsin inhibitor peptide derived from the mung bean inhibitor | | Descriptor: | BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN | | Authors: | Huang, Q, Li, Y, Zhang, S, Liu, S, Tang, Y, Qi, C. | | Deposit date: | 1992-10-24 | | Release date: | 1994-07-31 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Studies on an artificial trypsin inhibitor peptide derived from the mung bean trypsin inhibitor: chemical synthesis, refolding, and crystallographic analysis of its complex with trypsin.
J.Biochem.(Tokyo), 116, 1994
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5XA3
 | | Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | | Descriptor: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | | Authors: | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-03-10 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6L27
 | | X-ray crystal structure of the mutant green fluorescent protein | | Descriptor: | Green fluorescent protein | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kagotani, Y, Ostermann, A, Schrader, T.E. | | Deposit date: | 2019-10-02 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.77 Å) | | Cite: | Direct Observation of the Protonation States in the Mutant Green Fluorescent Protein.
J Phys Chem Lett, 11, 2020
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3SKV
 | | Salicylyl-Acyltransferase SsfX3 from a Tetracycline Biosynthetic Pathway | | Descriptor: | GLYCEROL, SsfX3 | | Authors: | Pickens, L.B, Sawaya, M.R, Yeates, T.O, Tang, Y. | | Deposit date: | 2011-06-23 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and Biochemical Characterization of the Salicylyl-acyltranferase SsfX3 from a Tetracycline Biosynthetic Pathway.
J.Biol.Chem., 286, 2011
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6L26
 | | Neutron crystal structure of the mutant green fluorescent protein (EGFP) | | Descriptor: | Green fluorescent protein, trideuteriooxidanium | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kagotani, Y, Ostermann, A, Schrader, T.E. | | Deposit date: | 2019-10-02 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | NEUTRON DIFFRACTION (1.444 Å) | | Cite: | Direct Observation of the Protonation States in the Mutant Green Fluorescent Protein.
J Phys Chem Lett, 11, 2020
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1WZD
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(10-CH2CH2COOH-Salophen)/Wild Type Heme oxygenase | | Descriptor: | GLYCEROL, Heme oxygenase, SULFATE ION, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1WYB
 | | Structure of 6-aminohexanoate-dimer hydrolase | | Descriptor: | 6-aminohexanoate-dimer hydrolase | | Authors: | Negoro, S, Ohki, T, Shibata, N, Mizuno, N, Wakitani, Y, Tsurukame, J, Matsumoto, K, Kawamoto, I, Takeo, M, Higuchi, Y. | | Deposit date: | 2005-02-09 | | Release date: | 2005-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of 6-aminohexanoate-dimer hydrolase
To be Published
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5XHJ
 | | Crystal Structure of P450BM3 with 5-Cyclohexylvaleroyl-L-Tryptophan | | Descriptor: | 5-cyclohexylpentanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Suzuki, K, Shoji, O, Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-04-21 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Control of stereoselectivity of benzylic hydroxylation catalysed by wild-type cytochrome P450BM3 using decoy molecules
CATALYSIS SCIENCE AND TECHNOLOGY, 7, 2017
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1WZG
 | | Crystal Structure Of An Artificial Metalloprotein: Fe(Salophen)/Wild Type Heme oxygenase | | Descriptor: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON, GLYCEROL, Heme oxygenase, ... | | Authors: | Unno, M, Yokoi, N, Ueno, T, Watanabe, Y, Ikeda-Saito, M. | | Deposit date: | 2005-03-04 | | Release date: | 2006-02-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design of metal cofactors activated by a protein-protein electron transfer system.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3VPK
 | | Crystal Structure of 6-Guanidinohexanoyl Trypsin | | Descriptor: | 6-carbamimidamidohexanoic acid, CALCIUM ION, Cationic trypsin, ... | | Authors: | Masuda, Y, Nitanai, Y, Mizutani, R, Noguchi, S. | | Deposit date: | 2012-03-05 | | Release date: | 2012-05-23 | | Last modified: | 2013-02-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of 6-guanidinohexanoyl trypsin near the optimum pH reveals the acyl-enzyme intermediate to be deacylated
Proteins, 2012
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5AY4
 | | Crystal structure of RNA duplex containing C-C base pairs obtained in the presence of Hg(II) | | Descriptor: | RNA (5'-R(*GP*GP*AP*CP*UP*(CBR)P*GP*AP*CP*UP*CP*C)-3'), SODIUM ION | | Authors: | Kondo, J, Tada, Y, Dairaku, T, Saneyoshi, H, Okamoto, I, Tanaka, Y, Ono, A. | | Deposit date: | 2015-08-06 | | Release date: | 2015-10-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-Resolution Crystal Structure of a Silver(I)-RNA Hybrid Duplex Containing Watson-Crick-like CSilver(I)C Metallo-Base Pairs
Angew.Chem.Int.Ed.Engl., 54, 2015
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5B2Y
 | | Crystal Structure of P450BM3 with N-perfluorodecanoyl-L-tryptophan | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2016-02-07 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structure of P450BM3 with decoy molecules
to be published
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7E3M
 | | RORgamma LBD complexed with Panaxatriol and SRC2.2 | | Descriptor: | (3R,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Nuclear receptor ROR-gamma | | Authors: | Liu, Z.H, Huang, J, Lu, W.Q, Tang, Y, Wu, Z.R. | | Deposit date: | 2021-02-09 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human RORgammat LBD with SRC2.2 at 2.80 Angstroms resolution
To Be Published
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1F2S
 | | CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY AT 1.8 A RESOLUTION | | Descriptor: | CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR A | | Authors: | Zhu, Y, Huang, Q, Qian, M, Jia, Y, Tang, Y. | | Deposit date: | 2000-05-29 | | Release date: | 2000-06-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of the complex formed between bovine beta-trypsin and MCTI-A, a trypsin inhibitor of squash family, at 1.8-A resolution.
J.Protein Chem., 18, 1999
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5B2U
 | | Crystal Structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of P450BM3 with decoy molecules
to be published
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5AON
 | | Crystal structure of the conserved N-terminal domain of Pex14 from Trypanosoma brucei | | Descriptor: | PEROXIN 14, SULFATE ION | | Authors: | Obita, T, Sugawara, Y, Mizuguchi, M, Watanabe, Y, Kawaguchi, K, Imanaka, T. | | Deposit date: | 2015-09-11 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.646 Å) | | Cite: | Characterization of the Interaction between Trypanosoma Brucei Pex5P and its Receptor Pex14P.
FEBS Lett., 590, 2016
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5B2W
 | | Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of P450BM3 with decoy molecules
to be published
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1TMW
 | | Solution structure of Human Coactosin Like Protein D123N | | Descriptor: | Coactosin-like protein | | Authors: | Dai, H, Wu, J, Xu, Y, Tang, Y, Ding, H, Shi, Y. | | Deposit date: | 2004-06-11 | | Release date: | 2005-06-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Study on Solution Structure and Its binding function to F-actin
To be Published
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