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5I2K
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BU of 5i2k by Molmil
Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)
分子名称: 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-02-09
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
6JNX
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BU of 6jnx by Molmil
Cryo-EM structure of a Q-engaged arrested complex
分子名称: Antiterminator Q protein, DNA (63-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Feng, Y, Shi, J.
登録日2019-03-18
公開日2019-06-12
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
2NV5
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BU of 2nv5 by Molmil
Crystal structure of a C-terminal phosphatase domain of Rattus norvegicus ortholog of human protein tyrosine phosphatase, receptor type, D (PTPRD)
分子名称: PTPRD, PHOSPHATASE
著者Bonanno, J.B, Gilmore, J, Bain, K.T, Iizuka, M, Xu, W, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-11-10
公開日2006-11-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7WKS
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BU of 7wks by Molmil
Apo state of AtPIN3
分子名称: Auxin efflux carrier component 3
著者Su, N.
登録日2022-01-11
公開日2022-08-10
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
7WKW
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BU of 7wkw by Molmil
NPA bound state of AtPIN3
分子名称: 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 3
著者Su, N.
登録日2022-01-11
公開日2022-08-10
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
5KDT
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BU of 5kdt by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE0723
分子名称: (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-06-08
公開日2016-07-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
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
2P8E
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BU of 2p8e by Molmil
Crystal structure of the serine/threonine phosphatase domain of human PPM1B
分子名称: MAGNESIUM ION, PPM1B beta isoform variant 6
著者Bonanno, J.B, Freeman, J, Bain, K.T, Lau, C, 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2007-03-22
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
7N44
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BU of 7n44 by Molmil
Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13)
分子名称: 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
著者Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2021-06-03
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Acs Med.Chem.Lett., 12, 2021
3OWT
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BU of 3owt by Molmil
Crystal structure of S. cerevisiae RAP1-Sir3 complex
分子名称: DNA-binding protein RAP1, Regulatory protein SIR3
著者Chen, Y, Yang, Y, Lei, M.
登録日2010-09-20
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
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
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
2P27
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BU of 2p27 by Molmil
Crystal Structure of Human Pyridoxal Phosphate Phosphatase with Mg2+ at 1.9 A resolution
分子名称: MAGNESIUM ION, 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2007-03-07
公開日2007-03-13
最終更新日2023-11-15
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
6JNY
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BU of 6jny by Molmil
Crystal structure of bacteriophage 21 Q protein
分子名称: Antiterminator Q protein
著者Feng, Y, Shi, J.
登録日2019-03-18
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
7V1Z
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BU of 7v1z by Molmil
human Serine beta-lactamase-like protein LACTB
分子名称: Serine beta-lactamase-like protein LACTB, mitochondrial
著者Zhang, M.H, Yang, M.J.
登録日2021-08-07
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB.
Structure, 30, 2022
7V21
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BU of 7v21 by Molmil
human Serine beta-lactamase-like protein LACTB truncation variant
分子名称: Serine beta-lactamase-like protein LACTB, mitochondrial
著者Zhang, M.H, Yang, M.J.
登録日2021-08-07
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB.
Structure, 30, 2022
7V1Y
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BU of 7v1y by Molmil
Serine beta-lactamase-like protein LACTB in complex with inhibitor
分子名称: ALA-ALA-B3S, Serine beta-lactamase-like protein LACTB, mitochondrial
著者Zhang, M.H, Yang, M.J.
登録日2021-08-07
公開日2022-02-16
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB.
Structure, 30, 2022
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
6MX8
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BU of 6mx8 by Molmil
Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib
分子名称: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Dougan, D.R, Zhou, T.
登録日2018-10-30
公開日2018-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
2R0B
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BU of 2r0b by Molmil
Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein
分子名称: GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein
著者Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, 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2007-08-18
公開日2007-08-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
7XXB
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BU of 7xxb by Molmil
IAA bound state of AtPIN3
分子名称: 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 3
著者Su, N.
登録日2022-05-29
公開日2022-08-10
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structures and mechanisms of the Arabidopsis auxin transporter PIN3.
Nature, 609, 2022
2G25
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BU of 2g25 by Molmil
E. Coli Pyruvate Dehydrogenase Phosphonolactylthiamin Diphosphate Complex
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, PHOSPHATE ION, ...
著者Furey, W, Arjunan, P, Chandrasekhar, K.
登録日2006-02-15
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct.
J.Biol.Chem., 281, 2006
2G28
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BU of 2g28 by Molmil
E. Coli Pyruvate Dehydrogenase H407A variant Phosphonolactylthiamin Diphosphate Complex
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, Pyruvate dehydrogenase E1 component
著者Furey, W, Arjunan, P, Chandrasekhar, K.
登録日2006-02-15
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Thiamin-bound, Pre-decarboxylation Reaction Intermediate Analogue in the Pyruvate Dehydrogenase E1 Subunit Induces Large Scale Disorder-to-Order Transformations in the Enzyme and Reveals Novel Structural Features in the Covalently Bound Adduct.
J.Biol.Chem., 281, 2006
7S0Y
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Structures of TcdB in complex with Cdc42
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021

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