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3MKP
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Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Gherardi, E, Chirgadze, D.Y, Blundell, T.L.
登録日2010-04-15
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration
To be Published
8R5U
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VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8R5T
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Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
分子名称: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
5HZC
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Crystal structure of the complex PPARgamma/AL26-29
分子名称: 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A.
登録日2016-02-02
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
5HYK
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Crystal structure of the complex PPARalpha/AL26-29
分子名称: 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor alpha
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A.
登録日2016-02-01
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
8T7V
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Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde)
分子名称: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-06-21
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8TJ7
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CRYSTAL STRUCTURE OF THE A/Shandong/9/1993(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJB
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CRYSTAL STRUCTURE OF THE A/Texas/73/2017(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ6
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CRYSTAL STRUCTURE OF THE A/Beijing/353/1989(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJA
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CRYSTAL STRUCTURE OF THE A/Ecuador/1374/2016(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ8
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CRYSTAL STRUCTURE OF THE A/Moscow/10/1999(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ4
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CRYSTAL STRUCTURE OF THE A/Bangkok/1/1979(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ9
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BU of 8tj9 by Molmil
CRYSTAL STRUCTURE OF THE A/Michigan/15/2014(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Wu, N.C, Zhu, X, Wilson, I.A.
登録日2023-07-20
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8SU8
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Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde).
分子名称: (6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-11
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8T09
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Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-ethynyl-2-hydroxy-1-naphthaldehyde)
分子名称: 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Bruystens, J.G.H.
登録日2023-05-31
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Acs Pharmacol Transl Sci, 6, 2023
8SH4
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Crystal structure of the tRNA (m1G37) methyltransferase apoenzyme from Anaplasma phagocytophilum
分子名称: GLYCEROL, tRNA (guanine-N(1)-)-methyltransferase
著者Jannotta, C, Edele, D, Levanti, D, Carson, M, Prucha, G, Caesar, J, Picchiello, C, Collins, K, Garland, E, Handley-Pendleton, J, Hernandez, V, Leffler, S, Williams, D, Stojanoff, V, Perez, A, Halloran, J, Bolen, R.
登録日2023-04-13
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the m1G37 tRNA methyltransferase apoenzyme from Anaplasma phagocytophilum
To Be Published
8D14
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Helical ADP-Pi-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D18
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Straight ADP-F-actin 2
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D15
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Bent ADP-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.61 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D13
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Helical ADP-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D17
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Straight ADP-F-actin 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8D16
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BU of 8d16 by Molmil
Bent ADP-Pi-F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Reynolds, M.J, Alushin, G.M.
登録日2022-05-26
公開日2022-09-07
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Bending forces and nucleotide state jointly regulate F-actin structure.
Nature, 611, 2022
8SVY
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BU of 8svy by Molmil
MBP-Mcl1 in complex with ligand 10
分子名称: (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Miller, B.R, Shaffer, P.
登録日2023-05-17
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Acs Med.Chem.Lett., 14, 2023
5OA5
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CELLOBIOHYDROLASE I (CEL7A) FROM HYPOCREA JECORINA WITH IMPROVED THERMAL STABILITY
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, GLYCEROL
著者Goedegebuur, F, Hansson, H, Karkehabadi, S, Mikkelsen, N, Stahlberg, J, Sandgren, M.
登録日2017-06-20
公開日2017-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Improving the thermal stability of cellobiohydrolase Cel7A from Hypocrea jecorina by directed evolution.
J. Biol. Chem., 292, 2017
4NWK
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Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014

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