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6XET
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BU of 6xet by Molmil
Tubulin-RB3_SLD in complex with compound 60c
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-06-13
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
6XES
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BU of 6xes by Molmil
Tubulin-RB3_SLD in complex with compound 40a
分子名称: DIMETHYL SULFOXIDE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2020-06-13
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
2P4U
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BU of 2p4u by Molmil
Crystal structure of acid phosphatase 1 (Acp1) from Mus musculus
分子名称: Acid phosphatase 1, PHOSPHATE ION
著者Bonanno, J.B, Freeman, J, Bain, K.T, Wu, B, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-13
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
8C8G
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BU of 8c8g by Molmil
Cryo-EM structure of BoNT/Wo-NTNH complex
分子名称: Putative botulinum-like toxin Wo, Structural protein
著者Kosenina, S, Skerlova, J, Stenmark, P.
登録日2023-01-20
公開日2023-10-04
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献The cryo-EM structure of the BoNT/Wo-NTNH complex reveals two immunoglobulin-like domains.
Febs J., 291, 2024
5TP9
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BU of 5tp9 by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 2 (GNE9178)
分子名称: 7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, ACETATE ION, CALCIUM ION, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-10-20
公開日2016-11-30
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
2Q5E
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BU of 2q5e by Molmil
Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2
分子名称: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION
著者Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-05-31
公開日2007-06-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
5TPA
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BU of 5tpa by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500)
分子名称: (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-10-20
公開日2016-11-30
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
7F6V
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BU of 7f6v by Molmil
Cryo-EM structure of the human TACAN channel in a closed state
分子名称: CHOLESTEROL, Ion channel TACAN
著者Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q.
登録日2021-06-25
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Cryo-EM structure of the human TACAN in a closed state.
Cell Rep, 38, 2022
2PBN
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BU of 2pbn by Molmil
Crystal structure of the human tyrosine receptor phosphate gamma
分子名称: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
著者Bonanno, J.B, Freeman, J, Bain, K.T, Reyes, C, Pelletier, L, Jin, X, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-28
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6MSH
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BU of 6msh by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
著者Mao, Y.D.
登録日2018-10-16
公開日2018-11-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
4YL0
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BU of 4yl0 by Molmil
Crystal Structures of mPGES-1 Inhibitor Complexes
分子名称: 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J.
登録日2015-03-04
公開日2015-06-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
6MSD
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BU of 6msd by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
著者Mao, Y.D.
登録日2018-10-16
公開日2018-12-05
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
4YL3
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BU of 4yl3 by Molmil
Crystal Structures of mPGES-1 Inhibitor Complexes
分子名称: 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, Prostaglandin E synthase, ...
著者Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J.
登録日2015-03-04
公開日2015-07-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
2OYC
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BU of 2oyc by Molmil
Crystal structure of human pyridoxal phosphate phosphatase
分子名称: Pyridoxal phosphate phosphatase, SODIUM ION, TUNGSTATE(VI)ION
著者Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-02-21
公開日2007-03-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2P69
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BU of 2p69 by Molmil
Crystal Structure of Human Pyridoxal Phosphate Phosphatase with PLP
分子名称: CALCIUM ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate phosphatase
著者Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-16
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6NB1
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BU of 6nb1 by Molmil
Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06
分子名称: ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
著者Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAY
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BU of 6nay by Molmil
Crystal structure of Neisseria meningitidis ClpP protease E31A+E58A activated double mutant
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Mabanglo, M.F, Houry, W.A.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAW
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BU of 6naw by Molmil
Crystal structure of Neisseria meningitidis ClpP E58A activated mutant
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Mabanglo, M.F, Houry, W.A.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
7TP3
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BU of 7tp3 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
分子名称: CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7TP4
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BU of 7tp4 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
6NAQ
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BU of 6naq by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in Apo form
分子名称: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION
著者Houry, W.A, Mabanglo, M.F, Pai, E.F, Eger, B.T, Bryson, S.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.022 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
7CBL
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BU of 7cbl by Molmil
Cryo-EM structure of the flagellar LP ring from Salmonella
分子名称: Flagellar L-ring protein, Flagellar P-ring protein, OCTANOIC ACID (CAPRYLIC ACID)
著者Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
登録日2020-06-12
公開日2021-04-28
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021

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