1IQF
 
 | | Human coagulation factor Xa in complex with M55165 | | Descriptor: | (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQL
 | | Human coagulation factor Xa in complex with M54476 | | Descriptor: | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQG
 | | Human coagulation factor Xa in complex with M55159 | | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQN
 | | Human coagulation factor Xa in complex with M55192 | | Descriptor: | 4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINYL]CARBONYL]MORPHOLINE, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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1IQI
 | | Human coagulation factor Xa in complex with M55125 | | Descriptor: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa | | Authors: | Shiromizu, I, Matsusue, T. | | Deposit date: | 2001-07-23 | | Release date: | 2003-09-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
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4WN1
 | | Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one | | Descriptor: | 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Amano, Y, Honbou, K. | | Deposit date: | 2014-10-10 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition.
Bioorg.Med.Chem., 23, 2015
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5D7A
 | | Crystal structure of the kinase domain of TRAF2 and NCK-interacting protein kinase with NCB-0846 | | Descriptor: | SULFATE ION, TRAF2 and NCK-interacting protein kinase, cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol | | Authors: | Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. | | Deposit date: | 2015-08-13 | | Release date: | 2016-08-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
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5CWZ
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5AX9
 | | Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase in complex with compund 9 | | Descriptor: | 4-methoxy-3-[2-[(3-methoxy-4-morpholin-4-yl-phenyl)amino]pyridin-4-yl]benzenecarbonitrile, SULFATE ION, TRAF2 and NCK-interacting protein kinase | | Authors: | Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M. | | Deposit date: | 2015-07-21 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
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5B0X
 | | Crystal structure of the CK2a/benzoic acid derivative complex | | Descriptor: | 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid, Casein kinase II subunit alpha | | Authors: | Kinoshita, T, Nakanishi, I. | | Deposit date: | 2015-11-13 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors
Bioorg.Med.Chem., 24, 2016
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6J6Y
 | | FGFR4 D2 - Fab complex | | Descriptor: | Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4 | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-08-07 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity.
Mol.Cancer Ther., 18, 2019
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6KE0
 | | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | | Descriptor: | 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone, MAGNESIUM ION, ZINC ION, ... | | Authors: | Amano, Y, Honbou, K. | | Deposit date: | 2019-07-03 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
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6KDX
 | | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | | Descriptor: | MAGNESIUM ION, N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine, ZINC ION, ... | | Authors: | Amano, Y, Honbou, K. | | Deposit date: | 2019-07-03 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
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6KDZ
 | | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | | Descriptor: | 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol, MAGNESIUM ION, ZINC ION, ... | | Authors: | Amano, Y, Honbou, K. | | Deposit date: | 2019-07-03 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
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5AWL
 | | CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025 | | Descriptor: | A mutant of Chignolin, CLN025 | | Authors: | Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S. | | Deposit date: | 2015-07-05 | | Release date: | 2015-08-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008
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7X5F
 | | Nrf2-MafG heterodimer bound with CsMBE2 | | Descriptor: | Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG | | Authors: | Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
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7X5G
 | | Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2 | | Descriptor: | DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ... | | Authors: | Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
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7X5E
 | | Nrf2-MafG heterodimer bound with CsMBE1 | | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ... | | Authors: | Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. | | Deposit date: | 2022-03-04 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of transcription regulation by CNC family transcription factor, Nrf2.
Nucleic Acids Res., 50, 2022
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3L02
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline | | Descriptor: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-09 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
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3L04
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase E92P mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline | | Descriptor: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-09 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
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3KZO
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with carbamyl phosphate and N-acetyl-L-norvaline | | Descriptor: | GLYCEROL, N-ACETYL-L-NORVALINE, N-acetylornithine carbamoyltransferase, ... | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-08 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of N-acetylornithine transcarbamoylase from Xanthomonas campestris complexed with substrates and substrate analogs imply mechanisms for substrate binding and catalysis.
Proteins, 64, 2006
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3KZC
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase | | Descriptor: | N-acetylornithine carbamoyltransferase, SULFATE ION | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-08 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of N-acetylornithine transcarbamylase from Xanthomonas campestris: a novel enzyme in a new arginine biosynthetic pathway found in several eubacteria.
J.Biol.Chem., 280, 2005
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3KZM
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with carbamyl phosphate | | Descriptor: | GLYCEROL, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-08 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of N-acetylornithine transcarbamoylase from Xanthomonas campestris complexed with substrates and substrate analogs imply mechanisms for substrate binding and catalysis.
Proteins, 64, 2006
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3L06
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase E92V mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline | | Descriptor: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-09 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
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3KZN
 | | Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with N-acetyl-L-ornirthine | | Descriptor: | GLYCEROL, N-acetylornithine carbamoyltransferase, N~2~-ACETYL-L-ORNITHINE, ... | | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | | Deposit date: | 2009-12-08 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of N-acetylornithine transcarbamoylase from Xanthomonas campestris complexed with substrates and substrate analogs imply mechanisms for substrate binding and catalysis.
Proteins, 64, 2006
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