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6K0Z
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BU of 6k0z by Molmil
Substrate bound state of Staphylococcus Aureus AldH
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GLYCEROL
著者Zhang, Z, Tao, X.
登録日2019-05-08
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4967258 Å)
主引用文献Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
4Z7P
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BU of 4z7p by Molmil
X-ray structure of racemic ShK Q16K toxin
分子名称: Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION
著者Sickmier, E.A.
登録日2015-04-07
公開日2015-09-09
最終更新日2015-09-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
1AQL
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BU of 1aql by Molmil
CRYSTAL STRUCTURE OF BOVINE BILE-SALT ACTIVATED LIPASE COMPLEXED WITH TAUROCHOLATE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILE-SALT ACTIVATED LIPASE, TAUROCHOLIC ACID
著者Wang, X, Zhang, X.
登録日1997-07-30
公開日1998-08-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of bovine bile salt activated lipase: insights into the bile salt activation mechanism.
Structure, 5, 1997
4HF4
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BU of 4hf4 by Molmil
Crystal Structure of PDE10A with a biaryl ether inhibitor (1-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)ethanol)
分子名称: (1S)-1-(1-{3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl}piperidin-4-yl)ethanol, GLYCEROL, SULFATE ION, ...
著者Chmait, S, Jordan, S.
登録日2012-10-04
公開日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
4HEU
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BU of 4heu by Molmil
Crystal Structure of PDE10A with a biaryl ether inhibitor ((1-(3-(4-((1H-benzo[d]imidazol-2-yl)amino)phenoxy)pyridin-2-yl)piperidin-4-yl)methanol)
分子名称: (1-{3-[4-(1H-benzimidazol-2-ylamino)phenoxy]pyridin-2-yl}piperidin-4-yl)methanol, SULFATE ION, ZINC ION, ...
著者Chmait, S, Jordan, S.
登録日2012-10-04
公開日2012-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of selective biaryl ethers as PDE10A inhibitors: Improvement in potency and mitigation of Pgp-mediated efflux.
Bioorg.Med.Chem.Lett., 22, 2012
4H1M
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BU of 4h1m by Molmil
Crystal structure of PYK2 with the indole 10c
分子名称: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8F8Z
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PHF2 (PHD+JMJ) in Complex with H3 Histone N-Terminal Peptide
分子名称: 1,2-ETHANEDIOL, H3 N-Terminal Peptide, Lysine-specific demethylase PHF2, ...
著者Horton, J.R, Cheng, X.
登録日2022-11-22
公開日2023-01-18
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
7STF
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BU of 7stf by Molmil
Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Wright, K.M, Gabelli, S.B, Miller, M.
登録日2021-11-12
公開日2023-05-31
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
8FS1
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BU of 8fs1 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905)
分子名称: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-01-09
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
6KIN
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BU of 6kin by Molmil
Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase
著者Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L.
登録日2019-07-19
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
8FS2
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BU of 8fs2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
分子名称: 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-01-09
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
7W0S
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BU of 7w0s by Molmil
TRIM7 in complex with C-terminal peptide of 2C
分子名称: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase TRIM7, GLYCEROL, ...
著者Zhang, H, Liang, X, Li, X.Z.
登録日2021-11-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0Q
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BU of 7w0q by Molmil
TRIM7 in complex with C-terminal peptide of 2C
分子名称: E3 ubiquitin-protein ligase TRIM7, peptide
著者Zhang, H, Liang, X, Li, X.Z.
登録日2021-11-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
7W0T
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BU of 7w0t by Molmil
TRIM7 in complex with C-terminal peptide of 2C
分子名称: E3 ubiquitin-protein ligase TRIM7, peptide
著者Zhang, H, Liang, X, Li, X.Z.
登録日2021-11-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022
8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
分子名称: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEQ
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BU of 8jeq by Molmil
Crystal structure of Tiragolumab
分子名称: antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEP
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BU of 8jep by Molmil
Crystal structure of Ociperlimab
分子名称: antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEN
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BU of 8jen by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II
分子名称: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEO
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BU of 8jeo by Molmil
Crystal structure of TIGIT in complexed with Tiragolumab
分子名称: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
6IGO
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BU of 6igo by Molmil
Crystal structure of myelin protein zero-like protein 1 (MPZL1)
分子名称: Myelin protein zero-like protein 1
著者Yu, T.
登録日2018-09-25
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.746 Å)
主引用文献Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1
Biochem. Biophys. Res. Commun., 506, 2018
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6IGT
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MPZL1 mutant - V145G, Q146K, P147T and G148S
分子名称: Myelin protein zero-like protein 1
著者Yu, T.
登録日2018-09-26
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1
Biochem. Biophys. Res. Commun., 506, 2018
6IGW
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MPZL1 mutant - S86G, V145G, Q146K,P147T,G148S
分子名称: Myelin protein zero-like protein 1
著者Yu, T.
登録日2018-09-26
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.979 Å)
主引用文献Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1
Biochem. Biophys. Res. Commun., 506, 2018
7X6Z
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TRIM7 in complex with C-terminal peptide of NSP12
分子名称: E3 ubiquitin-protein ligase TRIM7, peptide
著者Zhang, H, Liang, X, Li, X.Z.
登録日2022-03-08
公開日2022-08-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures.
Nat.Chem.Biol., 18, 2022

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