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2NSG
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BU of 2nsg by Molmil
Crystal structure of the mycothiol-dependent maleylpyruvate isomerase H52A mutant
分子名称: GLYCEROL, Hypothetical protein Cgl3021, SULFATE ION
著者Chang, W.R, Wang, R.
登録日2006-11-04
公開日2007-04-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structures and Site-directed Mutagenesis of a Mycothiol-dependent Enzyme Reveal a Novel Folding and Molecular Basis for Mycothiol-mediated Maleylpyruvate Isomerization
J.Biol.Chem., 282, 2007
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.561 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.357 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
4WWY
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BU of 4wwy by Molmil
human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor
分子名称: CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ...
著者Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S.
登録日2014-11-12
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates.
J.Biol.Chem., 290, 2015
4WXV
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BU of 4wxv by Molmil
Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI)
分子名称: CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ...
著者Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S.
登録日2014-11-14
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates.
J.Biol.Chem., 290, 2015
6JJP
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BU of 6jjp by Molmil
Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of MW11-h317, Programmed cell death protein 1, ...
著者Wang, M, Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M.
登録日2019-02-26
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation.
Commun Biol, 2, 2019
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
4DQM
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BU of 4dqm by Molmil
Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity
分子名称: (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
著者Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y.
登録日2012-02-16
公開日2012-10-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
4ZA1
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BU of 4za1 by Molmil
Crystal Structure of NosA Involved in Nosiheptide Biosynthesis
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, NosA
著者Liu, S, Guo, H, Zhang, T, Han, L, Yao, P, Zhang, Y, Rong, N, Yu, Y, Lan, W, Wang, C, Ding, J, Wang, R, Liu, W, Cao, C.
登録日2015-04-13
公開日2015-08-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based Mechanistic Insights into Terminal Amide Synthase in Nosiheptide-Represented Thiopeptides Biosynthesis
Sci Rep, 5, 2015
1BBY
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BU of 1bby by Molmil
DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, MINIMIZED AVERAGE
分子名称: RAP30
著者Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H.
登録日1998-04-26
公開日1998-11-25
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly.
Proc.Natl.Acad.Sci.USA, 95, 1998
6JYV
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BU of 6jyv by Molmil
Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1
分子名称: Probable iron/ascorbate oxidoreductase, SODIUM ION
著者Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M.
登録日2019-04-28
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 514, 2019
3VFE
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BU of 3vfe by Molmil
Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group
分子名称: 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6
著者Chen, X, Zhang, Y, Xia, T, Wang, R.
登録日2012-01-09
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
Acs Med.Chem.Lett., 3, 2012
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-11-22
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DK2
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BU of 7dk2 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW07 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW07 heavy chain, MW07 light chain, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M, Chen, S.
登録日2020-11-22
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Architectural versatility of spike neutralization by a SARS-CoV-2 antibody
To Be Published
2BBY
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BU of 2bby by Molmil
DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, 30 STRUCTURES
分子名称: RAP30
著者Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H.
登録日1998-04-27
公開日1998-11-25
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly.
Proc.Natl.Acad.Sci.USA, 95, 1998
7DPM
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BU of 7dpm by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
著者Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
登録日2020-12-20
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.304 Å)
主引用文献Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.
Mabs, 13, 2021
1VJY
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BU of 1vjy by Molmil
Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor
分子名称: 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I
著者Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D.
登録日2004-04-07
公開日2004-08-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors.
J.Med.Chem., 47, 2004
7E9V
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BU of 7e9v by Molmil
The Crystal Structure of human UMP-CMP kinase from Biortus.
分子名称: SULFATE ION, UMP-CMP kinase
著者Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M.
登録日2021-03-05
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of human UMP-CMP kinase from Biortus.
To Be Published
7C6Q
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BU of 7c6q by Molmil
Novel natural PPARalpha agonist with a unique binding mode
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha
著者Tian, S.Y, Wang, R, Zheng, W.L, Li, Y.
登録日2020-05-22
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition.
Molecules, 26, 2021
3UYR
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BU of 3uyr by Molmil
Structure of a monoclonal antibody complexed with its MHC-I antigen
分子名称: 1,2-ETHANEDIOL, H-2 class I histocompatibility antigen, L-D alpha chain, ...
著者Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K.
登録日2011-12-06
公開日2012-07-25
最終更新日2012-08-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
3UO1
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BU of 3uo1 by Molmil
Structure of a monoclonal antibody complexed with its MHC-I antigen
分子名称: ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ...
著者Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K.
登録日2011-11-16
公開日2012-07-25
最終更新日2012-08-01
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
3V4U
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BU of 3v4u by Molmil
Structure of a monoclonal antibody complexed with its MHC-I antigen
分子名称: ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ...
著者Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K.
登録日2011-12-15
公開日2012-07-25
最終更新日2012-08-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012

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