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1BIZ
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BU of 1biz by Molmil
HIV-1 INTEGRASE CORE DOMAIN
Descriptor: CACODYLATE ION, HIV-1 INTEGRASE
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-21
Release date:1998-08-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
5F8J
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BU of 5f8j by Molmil
Enterovirus 71 Polymerase Elongation Complex (C1S4 Form)
Descriptor: GLYCEROL, Genome polyprotein, MAGNESIUM ION, ...
Authors:Shu, B, Gong, P.
Deposit date:2015-12-09
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.675 Å)
Cite:Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation
Proc.Natl.Acad.Sci.USA, 113, 2016
8DID
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BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
1C0R
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BU of 1c0r by Molmil
COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID
Descriptor: CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ...
Authors:Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
Deposit date:1999-07-20
Release date:1999-07-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
1C24
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BU of 1c24 by Molmil
E. COLI METHIONINE AMINOPEPTIDASE: METHIONINE PHOSPHINATE COMPLEX
Descriptor: (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID, COBALT (II) ION, METHIONINE AMINOPEPTIDASE, ...
Authors:Lowther, W.T, Zhang, Y, Sampson, P.B, Honek, J.F, Matthews, B.W.
Deposit date:1999-07-22
Release date:1999-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the mechanism of Escherichia coli methionine aminopeptidase from the structural analysis of reaction products and phosphorus-based transition-state analogues.
Biochemistry, 38, 1999
6HIJ
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BU of 6hij by Molmil
Cryo-EM structure of the human ABCG2-MZ29-Fab complex with cholesterol and PE lipids docked
Descriptor: 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATP-binding cassette sub-family G member 2, CHOLESTEROL, ...
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P.
Deposit date:2018-08-30
Release date:2018-09-19
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat.Struct.Mol.Biol., 25, 2018
5ACO
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BU of 5aco by Molmil
Cryo-EM structure of PGT128 Fab in complex with BG505 SOSIP.664 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 ENVELOPE GLYCOPROTEIN, ...
Authors:Lee, J.H, Ward, A.B.
Deposit date:2015-08-17
Release date:2015-09-30
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Model Building and Refinement of a Natively Glycosylated HIV-1 Env Protein by High-Resolution Cryoelectron Microscopy.
Structure, 23, 2015
5LVT
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BU of 5lvt by Molmil
Structure of HU protein from Lactococcus lactis
Descriptor: ACETATE ION, DNA-binding protein HU, SULFATE ION
Authors:Le Meur, R, Coste, F, Castaing, B.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of HU protein from Lactococcus lactis
To Be Published
8FUH
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BU of 8fuh by Molmil
Rubrerythrin from B. pseudomallei: apo form
Descriptor: DI(HYDROXYETHYL)ETHER, Rubrerythrin
Authors:Monteiro, D.C.F, Snell, M.E, Budziszewski, G.R, Bowman, S.E.J.
Deposit date:2023-01-17
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Rubrerythrin from B. pseudomallei: apo form
To Be Published
5LY0
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BU of 5ly0 by Molmil
Crystal structure of LOB domain of Ramosa2 from Wheat
Descriptor: LOB family transfactor Ramosa2.1, ZINC ION
Authors:Wei, X.-B, Zhang, B, Chen, W.-F, Fan, S.-H, Rety, S, Xi, X.-G.
Deposit date:2016-09-23
Release date:2017-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.877 Å)
Cite:Structural analysis reveals a "molecular calipers" mechanism for a LATERAL ORGAN BOUNDARIES DOMAIN transcription factor protein from wheat.
J. Biol. Chem., 294, 2019
6SZU
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BU of 6szu by Molmil
Bat Influenza A polymerase pre-termination complex with pyrophosphate using 44-mer vRNA template with mutated oligo(U) sequence
Descriptor: 5-oxidanyl-4-oxidanylidene-1-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]pyridine-3-carboxylic acid, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-02
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
4XHB
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BU of 4xhb by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with pentanediol and CHES
Descriptor: (1R,2S)-cyclopentane-1,2-diol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-05
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJW
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BU of 4xjw by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
5LTN
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BU of 5ltn by Molmil
Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease complexed with DPBA
Descriptor: 2-4-DIOXO-4-PHENYLBUTANOIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F.
Deposit date:2016-09-07
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of Lymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands.
Iucrj, 5, 2018
8FVV
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BU of 8fvv by Molmil
Rubrerythrin from B. pseudomallei: iron-bound
Descriptor: FE (III) ION, Rubrerythrin
Authors:Monteiro, D.C.F, Snell, M.E, Budziszewski, G.R, Bowman, S.E.J.
Deposit date:2023-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Rubrerythrin from B. pseudomallei: iron-bound
To Be Published
4XD0
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BU of 4xd0 by Molmil
X-ray structure of the N-formyltransferase QdtF from Providencia alcalifaciens
Descriptor: (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, CHLORIDE ION, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ...
Authors:Thoden, J.B, Woodford, C.R, Holden, H.M.
Deposit date:2014-12-18
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New Role for the Ankyrin Repeat Revealed by a Study of the N-Formyltransferase from Providencia alcalifaciens.
Biochemistry, 54, 2015
8FXD
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BU of 8fxd by Molmil
Rubrerythrin from B. pseudomallei: manganese-bound
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Rubrerythrin
Authors:Monteiro, D.C.F, Snell, M.E, Budziszewski, G.R, Bowman, S.E.J.
Deposit date:2023-01-24
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Rubrerythrin from B. pseudomallei: manganese-bound
To Be Published
1AUA
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BU of 1aua by Molmil
PHOSPHATIDYLINOSITOL TRANSFER PROTEIN SEC14P FROM SACCHAROMYCES CEREVISIAE
Descriptor: PHOSPHATIDYLINOSITOL TRANSFER PROTEIN SEC14P, octyl beta-D-glucopyranoside
Authors:Sha, B, Phillips, S.E, Bankaitis, V.A, Luo, M.
Deposit date:1997-08-20
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the Saccharomyces cerevisiae phosphatidylinositol-transfer protein.
Nature, 391, 1998
6SNV
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BU of 6snv by Molmil
DNA mismatch repair proteins MLH1 and MLH3
Descriptor: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
Authors:Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2019-08-27
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
5FIC
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BU of 5fic by Molmil
Open form of murine Acid Sphingomyelinase in presence of lipid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
8G1M
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BU of 8g1m by Molmil
Lectin domain of SasG (Staphylococcus aureus Surface protein G)
Descriptor: CALCIUM ION, E domain-containing protein
Authors:Maciag, J.J, Herr, A.B.
Deposit date:2023-02-02
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mechanistic basis of staphylococcal interspecies competition for skin colonization
To Be Published
8BO1
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BU of 8bo1 by Molmil
ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AZIDE ION, ...
Authors:Teixeira-Nunes, M, Renault, L, Retailleau, P.
Deposit date:2022-11-14
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
4XJ9
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BU of 4xj9 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
8G1L
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BU of 8g1l by Molmil
Lectin domain of Aap (Staphylococcus epidermidis Accumulation Associated Protein)
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Accumulation associated protein, CALCIUM ION, ...
Authors:Maciag, J.J, Herr, A.B.
Deposit date:2023-02-02
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Mechanistic basis of staphylococcal interspecies competition for skin colonization
To Be Published
4XJZ
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BU of 4xjz by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 7.4 in PBS with DMSO
Descriptor: DIMETHYL SULFOXIDE, PHOSPHATE ION, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

224004

数据于2024-08-21公开中

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