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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
7X91
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BU of 7x91 by Molmil
The SARS-CoV-2 receptor binding domain bound with an Fv-clasp form of a human neutralizing antibody Ab496
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, An Fv-clasp version of the Ab496 heavy chain, An Fv-clasp version of the Ab496 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Z
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BU of 7x8z by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab188
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab188 heavy chain, Ab188 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8W
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BU of 7x8w by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab354
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab354 heavy chain, Ab354 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8Y
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BU of 7x8y by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab159
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab159 heavy chain, Ab159 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X90
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BU of 7x90 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab326
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab326 heavy chain, Ab326 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X92
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BU of 7x92 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab445
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab445 heavy chain, Ab445 light chain, ...
著者Kamada, K, Shirouzu, M.
登録日2022-03-15
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
5X1D
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BU of 5x1d by Molmil
Crystal Structure of T246A-N247A Human CRMP-2 Mutant
分子名称: Dihydropyrimidinase-related protein 2
著者Nitta, R, Tomabechi, Y, Aoki, M, Shirouzu, M.
登録日2017-01-25
公開日2017-09-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for CRMP2-induced axonal microtubule formation
Sci Rep, 7, 2017
5X5Y
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BU of 5x5y by Molmil
A membrane protein complex
分子名称: Probable ATP-binding component of ABC transporter, Uncharacterized protein
著者Luo, Q, Yang, X, Huang, Y.
登録日2017-02-18
公開日2017-04-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.465 Å)
主引用文献Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
5ZOV
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BU of 5zov by Molmil
Inward-facing conformation of L-ascorbate transporter UlaA
分子名称: ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC
著者Wang, J.W.
登録日2018-04-16
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.333 Å)
主引用文献Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism
Cell Discov, 4, 2018
2FOI
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BU of 2foi by Molmil
Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase.
分子名称: 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C.
登録日2006-01-13
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
3VX8
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BU of 3vx8 by Molmil
Crystal structure of Arabidopsis thaliana Atg7NTD-Atg3 complex
分子名称: Autophagy-related protein 3, Ubiquitin-like modifier-activating enzyme atg7
著者Matoba, K, Fujioka, Y, Noda, N.N.
登録日2012-09-11
公開日2012-11-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Noncanonical recognition and UBL loading of distinct E2s by autophagy-essential Atg7.
Nat.Struct.Mol.Biol., 19, 2012
3VOL
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BU of 3vol by Molmil
X-ray Crystal Structure of PAS-HAMP Aer2 in the CN-bound Form
分子名称: Aerotaxis transducer Aer2, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Sawai, H, Sugimoto, H, Shiro, Y, Aono, S.
登録日2012-01-27
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural basis for oxygen sensing and signal transduction of the heme-based sensor protein Aer2 from Pseudomonas aeruginosa
Chem.Commun.(Camb.), 48, 2012
3VPC
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BU of 3vpc by Molmil
ArgX from Sulfolobus tokodaii complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Putative acetylornithine deacetylase
著者Tomita, T, Horie, A, Kuzuyama, T, Nishiyama, M.
登録日2012-02-29
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Lysine and arginine biosyntheses mediated by a common carrier protein in Sulfolobus.
Nat.Chem.Biol., 9, 2013
3VPB
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BU of 3vpb by Molmil
ArgX from Sulfolobus tokodaii complexed with LysW/Glu/ADP/Mg/Zn/Sulfate
分子名称: ADENOSINE-5'-DIPHOSPHATE, Alpha-aminoadipate carrier protein lysW, GLUTAMIC ACID, ...
著者Tomita, T, Ouchi, T, Kuzuyama, T, Nishiyama, M.
登録日2012-02-29
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lysine and arginine biosyntheses mediated by a common carrier protein in Sulfolobus
Nat.Chem.Biol., 9, 2013
4WR5
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BU of 4wr5 by Molmil
Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1)
分子名称: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION
著者Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K.
登録日2014-10-23
公開日2015-08-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Protein stabilization utilizing a redefined codon
Sci Rep, 5, 2015
1J1D
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BU of 1j1d by Molmil
Crystal structure of the 46kDa domain of human cardiac troponin in the Ca2+ saturated form
分子名称: CALCIUM ION, Troponin C, Troponin I, ...
著者Takeda, S, Yamashita, A, Maeda, K, Maeda, Y.
登録日2002-12-03
公開日2003-07-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structure of the core domain of human cardiac troponin in the Ca2+-saturated form
Nature, 424, 2003
8W85
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BU of 8w85 by Molmil
HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.769 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W84
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BU of 8w84 by Molmil
HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W86
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BU of 8w86 by Molmil
HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W83
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BU of 8w83 by Molmil
HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
3VJH
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BU of 3vjh by Molmil
Human PPAR GAMMA ligand binding domain in complex with JKPL35
分子名称: (2S)-2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic acid, Peroxisome proliferator-activated receptor gamma
著者Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T.
登録日2011-10-20
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
3VJI
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BU of 3vji by Molmil
Human PPAR gamma ligand binding domain in complex with JKPL53
分子名称: (2S)-2-{4-butoxy-3-[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]benzoyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor gamma
著者Tomioka, D, Kuwabara, N, Hashimoto, H, Sato, M, Shimizu, T.
登録日2011-10-20
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype.
J.Med.Chem., 55, 2012
8JMN
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BU of 8jmn by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-21
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Abe, K, Yokoshima, S, Yoshimori, A.
登録日2023-06-05
公開日2023-08-30
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023

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