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2HS2
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BU of 2hs2 by Molmil
Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir)
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Weber, I.T, Kovalevsky, A.Y, Liu, F.
登録日2006-07-20
公開日2006-10-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
2HS1
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BU of 2hs1 by Molmil
Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Weber, I.T, Kovalevsky, A.Y.
登録日2006-07-20
公開日2006-10-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
2ODC
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BU of 2odc by Molmil
LEM-domain of the nuclear envelope protein emerin
分子名称: Emerin
著者Clore, G.M, Cai, M.
登録日2006-12-22
公開日2007-03-13
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the Barrier-to-Autointegration Factor-Emerin Complex.
J.Biol.Chem., 282, 2007
2ODG
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BU of 2odg by Molmil
Complex of barrier-to-autointegration factor and LEM-domain of emerin
分子名称: Barrier-to-autointegration factor, Emerin
著者Clore, G.M, Cai, M.
登録日2006-12-22
公開日2007-03-13
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the Barrier-to-Autointegration Factor-Emerin Complex.
J.Biol.Chem., 282, 2007
2G69
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BU of 2g69 by Molmil
Structure of Unliganded HIV-1 Protease F53L Mutant
分子名称: protease
著者Kovalevsky, A.Y, Liu, F.
登録日2006-02-24
公開日2006-05-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanism of Drug Resistance Revealed by the Crystal Structure of the Unliganded HIV-1 Protease with F53L Mutation.
J.Mol.Biol., 358, 2006
1J46
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BU of 1j46 by Molmil
3D Solution NMR Structure of the Wild Type HMG-BOX Domain of the Human Male Sex Determining Factor Sry Complexed to DNA
分子名称: 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)-3', 5'-D(*GP*GP*TP*GP*TP*TP*TP*GP*TP*GP*CP*AP*GP*G)-3', SEX-DETERMINING REGION Y PROTEIN
著者Clore, G.M, Murphy, E.C.
登録日2001-07-23
公開日2001-10-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural basis for SRY-dependent 46-X,Y sex reversal: modulation of DNA bending by a naturally occurring point mutation.
J.Mol.Biol., 312, 2001
1J4W
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BU of 1j4w by Molmil
COMPLEX OF THE KH3 and KH4 DOMAINS OF FBP WITH A SINGLE_STRANDED 29mer DNA OLIGONUCLEOTIDE FROM THE FUSE ELEMENT OF THE C-MYC ONCOGENE
分子名称: DNA (5'-D(*GP*TP*A*TP*AP*TP*TP*CP*CP*CP*TP*CP*GP*GP*G*AP*TP*TP*TP*TP*TP*TP*AP*TP*TP*TP*TP*GP*T)-3'), FUSE binding protein
著者Clore, G.M, Braddock, D.T.
登録日2001-11-30
公開日2002-03-06
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure and dynamics of KH domains from FBP bound to single-stranded DNA.
Nature, 415, 2002
1J47
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BU of 1j47 by Molmil
3D Solution NMR Structure of the M9I Mutant of the HMG-Box Domain of the Human Male Sex Determining Factor SRY Complexed to DNA
分子名称: 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)-3', 5'-D(*GP*GP*TP*GP*TP*TP*TP*GP*TP*GP*CP*AP*GP*G)-3', SEX-DETERMINING REGION Y PROTEIN
著者Clore, G.M, Murphy, E.C.
登録日2001-07-23
公開日2001-10-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural basis for SRY-dependent 46-X,Y sex reversal: modulation of DNA bending by a naturally occurring point mutation.
J.Mol.Biol., 312, 2001
7R95
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BU of 7r95 by Molmil
Membrane bound structure of HR1 domain of SARS-CoV-2 spike protein
分子名称: Spike protein S2
著者Chiliveri, S.C, Bax, A.
登録日2021-06-28
公開日2021-10-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Transient lipid-bound states of spike protein heptad repeats provide insights into SARS-CoV-2 membrane fusion.
Sci Adv, 7, 2021
7RMT
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BU of 7rmt by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-70
分子名称: 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde, 3C-like proteinase
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-28
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RNH
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BU of 7rnh by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45
分子名称: 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-29
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RLS
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BU of 7rls by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68
分子名称: 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RNK
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BU of 7rnk by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71
分子名称: 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-29
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RM2
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BU of 7rm2 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1
分子名称: 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RMB
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BU of 7rmb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78
分子名称: 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-27
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RME
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BU of 7rme by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52
分子名称: 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-27
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RN4
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BU of 7rn4 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69
分子名称: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-29
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RMZ
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BU of 7rmz by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-63
分子名称: 3C-like proteinase, 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-28
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
3EC0
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BU of 3ec0 by Molmil
High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-06579A
分子名称: (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2008-08-28
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3EBZ
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BU of 3ebz by Molmil
High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2008-08-28
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3ECG
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BU of 3ecg by Molmil
High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2008-08-29
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3B80
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BU of 3b80 by Molmil
HIV-1 protease mutant I54V complexed with gem-diol-amine intermediate NLLTQI
分子名称: CHLORIDE ION, Protease, SODIUM ION, ...
著者Chumanevich, A.A, Kovalevsky, A.Y, Weber, I.T.
登録日2007-10-31
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate.
Biochemistry, 46, 2007
3EZM
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BU of 3ezm by Molmil
CYANOVIRIN-N
分子名称: PROTEIN (CYANOVIRIN-N)
著者Yang, F, Wlodawer, A.
登録日1998-12-15
公開日1998-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of cyanovirin-N, a potent HIV-inactivating protein, shows unexpected domain swapping.
J.Mol.Biol., 288, 1999
1C7U
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Complex of the DNA binding core domain of the transcription factor MEF2A with a 20mer oligonucleotide
分子名称: 5'-D(*CP*TP*CP*GP*GP*CP*TP*AP*TP*TP*AP*AP*TP*AP*GP*CP*CP*GP*AP*G)-3', MYOCYTE-SPECIFIC ENHANCER FACTOR 2A, C4 FORM
著者Clore, G.M, Huang, K.
登録日2000-03-17
公開日2000-03-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the MEF2A-DNA complex: structural basis for the modulation of DNA bending and specificity by MADS-box transcription factors
Embo J., 19, 2000
1GGR
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COMPLEX OF ENZYME IIAGLC AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
分子名称: PHOSPHITE ION, PHOSPHOCARRIER PROTEIN HPR, PTS SYSTEM, ...
著者Clore, G.M, Wang, G.
登録日2000-09-18
公開日2000-11-15
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the phosphoryl transfer complex between the signal transducing proteins HPr and IIA(glucose) of the Escherichia coli phosphoenolpyruvate:sugar phosphotransferase system.
EMBO J., 19, 2000

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