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5V8Y
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BU of 5v8y by Molmil
Mutant Structures of Streptococcus Agalactiae GBS Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH)
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION
著者Schormann, N, Ulett, G.C, Chattopadhyay, D.
登録日2017-03-22
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mutant Structures of Streptococcus Agalactiae GBS Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH)
To Be Published
7LDY
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BU of 7ldy by Molmil
HIV-1 Protease WT (NL4-3) in Complex with TMC-126
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, 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2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE0
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BU of 7le0 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, 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2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE2
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HIV-1 Protease WT (NL4-3) in Complex with UMass4
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, 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2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE1
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BU of 7le1 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass2
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, 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2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LDZ
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BU of 7ldz by Molmil
HIV-1 Protease WT (NL4-3) in Complex with 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, Protease, 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2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
1D2O
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BU of 1d2o by Molmil
CRYSTAL STRUCTURE OF A SINGLE B REPEAT UNIT (B1) OF COLLAGEN BINDING SURFACE PROTEIN (CNA) OF STAPHYLOCOCCUS AUREUS.
分子名称: COLLAGEN ADHESIN
著者Deivanayagam, C.C.S, Rich, R.L, Hook, M, Narayana, S.V.L.
登録日1999-09-25
公開日2000-09-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel fold and assembly of the repetitive B region of the Staphylococcus aureus collagen-binding surface protein.
Structure Fold.Des., 8, 2000
5UKO
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BU of 5uko by Molmil
Structure of unliganded anti-gp120 CD4bs antibody DH522IA Fab
分子名称: DH522IA Fab fragment heavy chain, DH522IA Fab fragment light chain
著者Nicely, N.I.
登録日2017-01-23
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
1D7C
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BU of 1d7c by Molmil
CYTOCHROME DOMAIN OF CELLOBIOSE DEHYDROGENASE, PH 4.6
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CADMIUM ION, CELLOBIOSE DEHYDROGENASE, ...
著者Hallberg, B.M, Bergfors, T, Backbro, K, Divne, C.
登録日1999-10-16
公開日2000-10-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A new scaffold for binding haem in the cytochrome domain of the extracellular flavocytochrome cellobiose dehydrogenase.
Structure Fold.Des., 8, 2000
5V5T
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BU of 5v5t by Molmil
Crystal structure of leucine-rich protein regulator, ElrR, from Enterococcus faecalis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Conserved domain protein
著者De Groote, M.C.R, Camargo, I.L, Serror, P, Horjales, E.
登録日2017-03-15
公開日2018-09-19
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure and functional characterization of ElrR, a member of the RRNPP family of transcriptional regulators.
To be published
1CHJ
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BU of 1chj by Molmil
STRUCTURAL STUDIES OF THE ROLES OF RESIDUES 82 AND 85 AT THE INTERACTIVE FACE OF CYTOCHROME C
分子名称: CYTOCHROME C, HEME C, SULFATE ION
著者Lo, T.P, Brayer, G.D.
登録日1994-06-01
公開日1994-12-20
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of the roles of residues 82 and 85 at the interactive face of cytochrome c.
Biochemistry, 34, 1995
4R05
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BU of 4r05 by Molmil
Crystal structure of the refolded DENV3 methyltransferase
分子名称: Nonstructural protein NS5
著者Brecher, M.B, Li, Z, Zhang, J, Chen, H, Lin, Q, Liu, B, Li, H.M.
登録日2014-07-29
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Refolding of a fully functional flavivirus methyltransferase revealed that S-adenosyl methionine but not S-adenosyl homocysteine is copurified with flavivirus methyltransferase.
Protein Sci., 24, 2015
6O6E
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BU of 6o6e by Molmil
Crystal structure of PltF trapped with PltL using a proline adenosine vinylsulfonamide inhibitor
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, FORMIC ACID, ...
著者Corpuz, J.C, Podust, L.M.
登録日2019-03-06
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Dynamic visualization of type II peptidyl carrier protein recognition in pyoluteorin biosynthesis.
Rsc Chem Biol, 1, 2020
5URG
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BU of 5urg by Molmil
rat CYPOR D632F mutant
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xia, C, Kim, J.J.
登録日2017-02-10
公開日2018-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
5UZN
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BU of 5uzn by Molmil
Crystal structure of Glorund qRRM3 domain
分子名称: AT27789p, GLYCEROL, SULFATE ION
著者Teramoto, T, Hall, T.M.T.
登録日2017-02-27
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The Drosophila hnRNP F/H Homolog Glorund Uses Two Distinct RNA-Binding Modes to Diversify Target Recognition.
Cell Rep, 19, 2017
5UZY
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BU of 5uzy by Molmil
Crystal structure of N97A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2017-02-27
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
1ALN
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BU of 1aln by Molmil
CRYSTAL STRUCTURE OF CYTIDINE DEAMINASE COMPLEXED WITH 3-DEAZACYTIDINE
分子名称: 3-DEAZACYTIDINE, CYTIDINE DEAMINASE, ZINC ION
著者Xiang, S, Carter, C.W.
登録日1997-06-02
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cytidine deaminase complexed to 3-deazacytidine: a "valence buffer" in zinc enzyme catalysis.
Biochemistry, 35, 1996
5V70
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BU of 5v70 by Molmil
Crystal structure of N102A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2017-03-17
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of N102A mutant of human macrophage migration inhibitory factor
To Be Published
5UIP
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BU of 5uip by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
分子名称: Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pedersen, L.C, London, R.E.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
6OO8
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BU of 6oo8 by Molmil
Dehaloperoxidase B in complex with substrate pentachlorophenol
分子名称: 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
登録日2019-04-22
公開日2020-04-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6OKH
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BU of 6okh by Molmil
Structure of an uncharacterized protein from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
分子名称: MAGNESIUM ION, Uncharacterized protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-04-12
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of an uncharacterized protein from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
TO BE PUBLISHED
6OP6
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BU of 6op6 by Molmil
Structure of VIM-20 in the reduced state
分子名称: Metallo-beta-lactamase VIM-20, SODIUM ION, ZINC ION
著者Page, R.C, Shurina, B.A, Montgomery, J.S, Orischak, M.G, Nix, J.C.
登録日2019-04-24
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Single Salt Bridge in VIM-20 Increases Protein Stability and Antibiotic Resistance under Low-Zinc Conditions.
Mbio, 10, 2019
5VC3
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BU of 5vc3 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB
分子名称: 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, CHLORIDE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-03-30
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
6OA6
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CRYSTAL STRUCTURE OF THE ACTIN-BINDING DOMAIN OF HUMAN ALPHA-ACTININ-4
分子名称: Alpha-actinin-4, GLYCEROL
著者Birrane, G, Feng, D.
登録日2019-03-15
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Phosphorylation of ACTN4 Leads to Podocyte Vulnerability and Proteinuric Glomerulosclerosis.
J. Am. Soc. Nephrol., 31, 2020
194L
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BU of 194l by Molmil
THE 1.40 A STRUCTURE OF SPACEHAB-01 HEN EGG WHITE LYSOZYME
分子名称: CHLORIDE ION, LYSOZYME, SODIUM ION
著者Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A.
登録日1995-09-01
公開日1995-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996

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