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7P2P
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BU of 7p2p by Molmil
Human Signal Peptidase Complex Paralog A (SPC-A)
分子名称: Signal peptidase complex catalytic subunit SEC11A, Signal peptidase complex subunit 1, Signal peptidase complex subunit 2, ...
著者Liaci, A.M, Foerster, F.
登録日2021-07-06
公開日2021-10-06
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structure of the human signal peptidase complex reveals the determinants for signal peptide cleavage.
Mol.Cell, 81, 2021
6OXQ
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BU of 6oxq by Molmil
HIV-1 Protease NL4-3 WT in Complex with UMass8
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXV
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HIV-1 Protease NL4-3 WT in Complex with LR-85
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXY
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BU of 6oxy by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-19
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
1FUQ
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BU of 1fuq by Molmil
FUMARASE WITH BOUND 3-TRIMETHYLSILYLSUCCINIC ACID
分子名称: 3-TRIMETHYLSILYLSUCCINIC ACID, CITRIC ACID, FUMARASE C
著者Weaver, T, Banaszak, L.
登録日1996-08-29
公開日1997-03-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic studies of the catalytic and a second site in fumarase C from Escherichia coli.
Biochemistry, 35, 1996
7P11
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BU of 7p11 by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with quinoline D-galactal ligand
分子名称: 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid, CHLORIDE ION, Galectin-8, ...
著者Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R.
登録日2021-07-01
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Acs Med.Chem.Lett., 12, 2021
7P1M
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Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole D-galactal ligand
分子名称: 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid, CHLORIDE ION, Galectin-8
著者Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R.
登録日2021-07-02
公開日2021-12-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Acs Med.Chem.Lett., 12, 2021
7OVP
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BU of 7ovp by Molmil
Crystal structure of the chemotactic adaptor protein CheF
分子名称: Adaptor protein CheF
著者Altegoer, F, Weiland, P, Grininger, M, Bange, G.
登録日2021-06-15
公開日2022-04-27
最終更新日2022-06-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into the mechanism of archaellar rotational switching.
Nat Commun, 13, 2022
6OXT
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BU of 6oxt by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-84
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY0
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BU of 6oy0 by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-21
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
1GSU
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BU of 1gsu by Molmil
AN AVIAN CLASS-MU GLUTATHIONE S-TRANSFERASE, CGSTM1-1 AT 1.94 ANGSTROM RESOLUTION
分子名称: CLASS-MU GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
著者Sun, Y.-J, Kuan, C, Tam, M.F, Hsiao, C.-D.
登録日1997-09-02
公開日1998-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The three-dimensional structure of an avian class-mu glutathione S-transferase, cGSTM1-1 at 1.94 A resolution.
J.Mol.Biol., 278, 1998
1H6V
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BU of 1h6v by Molmil
Mammalian thioredoxin reductase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOREDOXIN REDUCTASE
著者Sandalova, T, Zhong, L, Lindqvist, Y, Holmgren, A, Schneider, G.
登録日2001-06-27
公開日2001-08-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Three-Dimensional Structure of a Mammalian Thioredoxin Reductase: Implication for Mechanism and Evolution of a Selenocysteine Dependent Enzyme
Proc.Natl.Acad.Sci.USA, 98, 2001
1HIZ
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BU of 1hiz by Molmil
Xylanase T6 (Xt6) from Bacillus Stearothermophilus
分子名称: ENDO-1,4-BETA-XYLANASE, SULFATE ION, alpha-D-galactopyranose, ...
著者Sainz, G, Tepplitsky, A, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
登録日2001-01-05
公開日2002-01-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure Determination of the Extracellular Xylanase from Geobacillus Stearothermophilus by Selenomethionyl MAD Phasing
Acta Crystallogr.,Sect.D, 60, 2004
1ESG
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BU of 1esg by Molmil
RESTRICTION ENDONUCLEASE BAMHI BOUND TO A NON-SPECIFIC DNA.
分子名称: DNA (5'-D(*TP*GP*AP*AP*TP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*AP*TP*TP*CP*A)-3'), TYPE II RESTRICTION ENZYME BAMHI
著者Viadiu, H, Aggarwal, A.K.
登録日2000-04-09
公開日2000-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of BamHI bound to nonspecific DNA: a model for DNA sliding.
Mol.Cell, 5, 2000
1EED
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BU of 1eed by Molmil
X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors
分子名称: (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid, ENDOTHIAPEPSIN
著者Blundell, T.L, Frazao, C, Cooper, J.B.
登録日1992-06-15
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
Biochemistry, 31, 1992
8P8G
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BU of 8p8g by Molmil
Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
著者Maslac, N, Wagner, T.
登録日2023-06-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
4KPR
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BU of 4kpr by Molmil
Tetrameric form of rat selenoprotein thioredoxin reductase 1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, SULFITE ION, ...
著者Lindqvist, Y, Sandalova, T, Xu, J, Arner, E.
登録日2013-05-14
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Trp114 residue of thioredoxin reductase 1 is an electron relay sensor for oxidative stress
To be Published, 2013
1E94
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HslV-HslU from E.coli
分子名称: HEAT SHOCK PROTEIN HSLU, HEAT SHOCK PROTEIN HSLV, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Song, H.K, Hartmann, C, Ravishankar, R, Bochtler, M.
登録日2000-10-07
公開日2000-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mutational Studies on Hslu and its Docking Mode with Hslv
Proc.Natl.Acad.Sci.USA, 97, 2000
1EQW
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BU of 1eqw by Molmil
CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU,ZN SUPEROXIDE DISMUTASE
分子名称: COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION
著者Pesce, A, Battistoni, A, Stroppolo, M.E, Polizio, F, Nardini, M, Kroll, J.S, Langford, P.R, O'Neill, P, Sette, M, Desideri, A, Bolognesi, M.
登録日2000-04-06
公開日2000-09-08
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Functional and crystallographic characterization of Salmonella typhimurium Cu,Zn superoxide dismutase coded by the sodCI virulence gene.
J.Mol.Biol., 302, 2000
8PPS
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BU of 8pps by Molmil
Dimeric RbdA EAL, in apo state
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, EAL domain-containing protein, ...
著者Cordery, C.R, Maly, M, Walsh, M.A, Tews, I.
登録日2023-07-08
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Phosphodiesterase activation in the biofilm dispersal protein RbdA and relationship to the biofilm formation protein PA2072 of similar architecture
To Be Published
8PVL
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BU of 8pvl by Molmil
Chaetomium thermophilum pre-60S State 7 - pre-5S rotation lacking Utp30/ITS2 - composite structure
分子名称: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
登録日2023-07-17
公開日2023-12-06
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PVK
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BU of 8pvk by Molmil
Chaetomium thermophilum pre-60S State 5 - pre-5S rotation - L1 inward - composite structure
分子名称: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
登録日2023-07-17
公開日2023-12-06
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PV8
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BU of 8pv8 by Molmil
Chaetomium thermophilum pre-60S State 4 - post-5S rotation with Rix1 complex without Foot - composite structure
分子名称: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
登録日2023-07-17
公開日2024-01-10
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者Hargreaves, D.
登録日2023-07-03
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024

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