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1IQJ
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BU of 1iqj by Molmil
Human coagulation factor Xa in complex with M55124
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQE
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BU of 1iqe by Molmil
Human coagulation factor Xa in complex with M55590
分子名称: 4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-THIOMORPHOLINE-1,1-DIOXIDE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQM
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BU of 1iqm by Molmil
Human coagulation factor Xa in complex with M54471
分子名称: 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQK
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BU of 1iqk by Molmil
Human coagulation factor Xa in complex with M55113
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
5B0F
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BU of 5b0f by Molmil
Polyketide cyclase OAC from Cannabis sativa, Y72F mutant
分子名称: GLYCEROL, Olivetolic acid cyclase
著者Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H.
登録日2015-10-28
公開日2016-01-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
5B0C
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BU of 5b0c by Molmil
Polyketide cyclase OAC from Cannabis sativa, Y27F mutant
分子名称: Olivetolic acid cyclase
著者Yang, X, Matsui, T, Mori, T, Abe, I, Morita, H.
登録日2015-10-28
公開日2016-01-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structural basis for olivetolic acid formation by a polyketide cyclase from Cannabis sativa
Febs J., 283, 2016
1IQF
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BU of 1iqf by Molmil
Human coagulation factor Xa in complex with M55165
分子名称: (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
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQL
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BU of 1iql by Molmil
Human coagulation factor Xa in complex with M54476
分子名称: 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQG
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BU of 1iqg by Molmil
Human coagulation factor Xa in complex with M55159
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQN
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BU of 1iqn by Molmil
Human coagulation factor Xa in complex with M55192
分子名称: 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
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQI
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BU of 1iqi by Molmil
Human coagulation factor Xa in complex with M55125
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1WLF
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BU of 1wlf by Molmil
Structure of the N-terminal domain of PEX1 AAA-ATPase: Characterization of a putative adaptor-binding domain
分子名称: Peroxisome biogenesis factor 1, SULFATE ION
著者Shiozawa, K, Maita, N, Tomii, K, Seto, A, Goda, N, Tochio, H, Akiyama, Y, Shimizu, T, Shirakawa, M, Hiroaki, H.
登録日2004-06-25
公開日2004-09-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the N-terminal Domain of PEX1 AAA-ATPase: CHARACTERIZATION OF A PUTATIVE ADAPTOR-BINDING DOMAIN
J.Biol.Chem., 279, 2004
1KA9
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BU of 1ka9 by Molmil
Imidazole Glycerol Phosphate Synthase
分子名称: imidazole glycerol phosphate synthase
著者Omi, R, Miyahara, I, Hirotsu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2001-11-01
公開日2002-12-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of imidazole glycerol phosphate synthase from Thermus thermophilus HB8: open-closed conformational change and ammonia tunneling.
J.Biochem., 132, 2002
5B0W
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BU of 5b0w by Molmil
Crystal structure of the 11-cis isomer of pharaonis halorhodopsin in the absence of halide ions
分子名称: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, BACTERIORUBERIN, Halorhodopsin, ...
著者Kouyama, T, Chan, S.K.
登録日2015-11-11
公開日2016-07-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the 11-cis Isomer of Pharaonis Halorhodopsin: Structural Constraints on Interconversions among Different Isomeric States
Biochemistry, 55, 2016
7DHL
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BU of 7dhl by Molmil
Crystal structure of FGFR3 in complex with pyrimidine derivative
分子名称: 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine, Fibroblast growth factor receptor 3
著者Echizen, Y, Tateishi, Y, Amano, Y.
登録日2020-11-16
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency.
Bioorg.Med.Chem., 33, 2021
6USZ
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BU of 6usz by Molmil
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vigers, G.P, Smith, D.J.
登録日2019-10-28
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6EQM
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BU of 6eqm by Molmil
Crystal Structure of Human BACE-1 in Complex with CNP520
分子名称: Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide
著者Rondeau, J.-M, Wirth, E.
登録日2017-10-13
公開日2018-09-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.
EMBO Mol Med, 10, 2018
6USX
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BU of 6usx by Molmil
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
分子名称: 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Vigers, G.P, Smith, D.J.
登録日2019-10-28
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6UT0
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BU of 6ut0 by Molmil
Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vigers, G.P, Smith, D.J.
登録日2019-10-29
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
7Q4H
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BU of 7q4h by Molmil
A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex with PMSF
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, GLYCEROL, ...
著者Pinotsis, N, Wilmanns, M.
登録日2021-10-30
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.00003219 Å)
主引用文献Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
7Q4J
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BU of 7q4j by Molmil
A thermostable lipase from Thermoanaerobacter thermohydrosulfuricus in complex a monoacylglycerol intermediate
分子名称: CHLORIDE ION, DECANE, GLYCEROL, ...
著者Pinotsis, N, Wilmanns, M.
登録日2021-10-31
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
7Q7X
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Crystal structure of the methyltransferase-ribozyme 1 (with 1-methyl-adenosine)
分子名称: GUANINE, MAGNESIUM ION, RNA 1, ...
著者Mieczkowski, M, Hoebartner, C.
登録日2021-11-09
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and mechanism of the methyltransferase ribozyme MTR1.
Nat.Chem.Biol., 18, 2022
7Q7Y
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BU of 7q7y by Molmil
Crystal structure of the methyltransferase-ribozyme 1 (1-benzyl-adenosine derivative)
分子名称: GUANINE, MAGNESIUM ION, RNA 1, ...
著者Mieczkowski, M, Hoebartner, C.
登録日2021-11-09
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and mechanism of the methyltransferase ribozyme MTR1.
Nat.Chem.Biol., 18, 2022
7Q80
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Crystal structure of the methyltransferase-ribozyme 1, no Magnesium condition (with 1-methyl-adenosine)
分子名称: GUANINE, RNA 1, RNA 2, ...
著者Mieczkowski, M, Hoebartner, C.
登録日2021-11-09
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Structure and mechanism of the methyltransferase ribozyme MTR1.
Nat.Chem.Biol., 18, 2022
7Q82
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Crystal structure of the methyltransferase-ribozyme 1, Thallium derivative (with 1-methyl-adenosine)
分子名称: GUANINE, MAGNESIUM ION, RNA 1, ...
著者Mieczkowski, M, Hoebartner, C.
登録日2021-11-09
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure and mechanism of the methyltransferase ribozyme MTR1.
Nat.Chem.Biol., 18, 2022

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件を2024-07-17に公開中

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