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6P9U
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BU of 6p9u by Molmil
Crystal structure of human thrombin mutant W215A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION
著者Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E.
登録日2019-06-10
公開日2019-09-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
6P4Z
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BU of 6p4z by Molmil
Structure of gadolinium-caged cobalt (III) insulin hexamer
分子名称: CHLORIDE ION, COBALT (II) ION, GADOLINIUM ATOM, ...
著者Tran, T.H, Taylor, S.K, Stojanovic, M.N, Tong, L.
登録日2019-05-29
公開日2019-06-12
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insulin Hexamer-Caged Gadolinium Ion as MRI Contrast-o-phore
ChemBioChem, 24, 2018
6IF7
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BU of 6if7 by Molmil
Crystal Structure of AA10 Lytic Polysaccharide Monooxygenase from Tectaria macrodonta
分子名称: COPPER (II) ION, Chitin binding protein, GLYCEROL, ...
著者Archana, A, Yadav, S.K, Singh, P.K, Vasudev, P.G.
登録日2018-09-18
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insecticidal fern protein Tma12 is possibly a lytic polysaccharide monooxygenase.
Planta, 249, 2019
6PEU
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BU of 6peu by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with peptide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLY-ARG-LEU-GLY-PHE-TYR-GLY-TYR-ASP-LEU-GLN-ASP, MAGNESIUM ION, ...
著者Dong, S.-H, Nair, S.K.
登録日2019-06-20
公開日2019-11-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
1DGN
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BU of 1dgn by Molmil
SOLUTION STRUCTURE OF ICEBERG, AN INHIBITOR OF INTERLEUKIN-1BETA GENERATION
分子名称: ICEBERG (PROTEASE INHIBITOR)
著者Humke, E.W, Shriver, S.K, Starovasnik, M.A, Fairbrother, W.J, Dixit, V.M.
登録日1999-11-24
公開日2000-10-09
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献ICEBERG: a novel inhibitor of interleukin-1beta generation.
Cell(Cambridge,Mass.), 103, 2000
1DSE
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BU of 1dse by Molmil
CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, WITH PHOSPHATE BOUND, PH 6, 100K
分子名称: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PHOSPHATE ION, ...
著者Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B.
登録日2000-01-07
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
1DSO
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BU of 1dso by Molmil
CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 6, ROOM TEMPERATURE.
分子名称: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B.
登録日2000-01-07
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
6PJB
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BU of 6pjb by Molmil
HIV-1 Protease NL4-3 WT in Complex with Lopinavir
分子名称: N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJN
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BU of 6pjn by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-41
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJL
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BU of 6pjl by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR3-95
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
1DQ9
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BU of 1dq9 by Molmil
COMPLEX OF CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG-COA
分子名称: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, PROTEIN (HMG-COA REDUCTASE)
著者Istvan, E.S, Palnitkar, M, Buchanan, S.K, Deisenhofer, J.
登録日1999-12-30
公開日2000-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
EMBO J., 19, 2000
1DS4
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BU of 1ds4 by Molmil
CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, PH 6, 100K
分子名称: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B.
登録日2000-01-07
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
1DQA
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BU of 1dqa by Molmil
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG, COA, AND NADP+
分子名称: 3-HYDROXY-3-METHYL-GLUTARIC ACID, COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Istvan, E.S, Palnitkar, M, Buchanan, S.K, Deisenhofer, J.
登録日1999-12-30
公開日2000-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
EMBO J., 19, 2000
6PJE
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BU of 6pje by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-43
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PJO
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BU of 6pjo by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-42
分子名称: Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6OM4
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BU of 6om4 by Molmil
The structure of Microcin C7 biosynthetic enzyme MccB in complex with N-formylated MccA
分子名称: 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, MccB protein, ...
著者Dong, S.-H, Nair, S.K.
登録日2019-04-18
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biosynthesis of the RiPP trojan horse nucleotide antibiotic microcin C is directed by theN-formyl of the peptide precursor.
Chem Sci, 10, 2019
1DSP
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BU of 1dsp by Molmil
CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 7, ROOM TEMPERATURE.
分子名称: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B.
登録日2000-01-07
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
1DQ8
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BU of 1dq8 by Molmil
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG AND COA
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-HYDROXY-3-METHYL-GLUTARIC ACID, COENZYME A, ...
著者Istvan, E.S, Palnitkar, M, Buchanan, S.K, Deisenhofer, J.
登録日1999-12-30
公開日2000-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis.
EMBO J., 19, 2000
1DSG
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BU of 1dsg by Molmil
CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX AT PH 5, ROOM TEMPERATURE.
分子名称: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B.
登録日2000-01-07
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
4YAR
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BU of 4yar by Molmil
2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H
分子名称: 2-hydroxyethylphosphonate dioxygenase, ACETATE ION, CADMIUM ION, ...
著者Chekan, J.R, Nair, S.K.
登録日2015-02-17
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Common Late-Stage Intermediate in Catalysis by 2-Hydroxyethyl-phosphonate Dioxygenase and Methylphosphonate Synthase.
J.Am.Chem.Soc., 137, 2015
1E39
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BU of 1e39 by Molmil
Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT, FUMARIC ACID, ...
著者Doherty, M.K, Pealing, S.L, Miles, C.S, Moysey, R, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
登録日2000-06-07
公開日2000-09-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of the Active Site Acid/Base Catalyst in a Bacterial Fumarate Reductase: A Kinetic and Crystallographic Study
Biochemistry, 39, 2000
1DTJ
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BU of 1dtj by Molmil
CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN
分子名称: RNA-BINDING NEUROONCOLOGICAL VENTRAL ANTIGEN 2
著者Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L, Musunuru, K, Zhong, R, Darnell, R.B, Burley, S.K.
登録日2000-01-12
公開日2000-02-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains.
Structure Fold.Des., 7, 1999
4CQM
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BU of 4cqm by Molmil
Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD and NADP
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CARBONYL REDUCTASE FAMILY MEMBER 4, ...
著者Venkatesan, R, SahTeli, S.K, Awoniyi, L.O, Jiang, G, Prus, P, Kastoniotis, A.J, Hiltunen, J.K, Wierenga, R.K, Chen, Z.
登録日2014-02-19
公開日2014-09-10
最終更新日2014-09-17
実験手法X-RAY DIFFRACTION (2.339 Å)
主引用文献Insights Into Mitochondrial Fatty Acid Synthesis from the Structure of Heterotetrameric 3-Ketoacyl-Acp Reductase/3R-Hydroxyacyl-Coa Dehydrogenase.
Nat.Commun., 5, 2014
6O82
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BU of 6o82 by Molmil
S. pombe ubiquitin E1 complex with a ubiquitin-AMP mimic
分子名称: 1,2-ETHANEDIOL, 5'-deoxy-5'-(sulfamoylamino)adenosine, MAGNESIUM ION, ...
著者Olsen, S.K, Lima, C.D.
登録日2019-03-08
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structural basis for adenylation and thioester bond formation in the ubiquitin E1.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NMX
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BU of 6nmx by Molmil
Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and APPA
分子名称: (2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid, Threonine synthase
著者Petronikolou, N, Nair, S.K.
登録日2019-01-12
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin.
ACS Chem. Biol., 14, 2019

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