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7NOX
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BU of 7nox by Molmil
Structure of SGBP BO2743 from Bacteroides ovatus in complex with mixed-linked gluco-nonasaccharide
Descriptor: AZIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Correia, V.C, Trovao, F, Pinheiro, B.A, Palma, A.S, Carvalho, A.L.
Deposit date:2021-02-26
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mapping Molecular Recognition of beta 1,3-1,4-Glucans by a Surface Glycan-Binding Protein from the Human Gut Symbiont Bacteroides ovatus.
Microbiol Spectr, 9, 2021
1P0S
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BU of 1p0s by Molmil
Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R
Descriptor: Coagulation factor X precursor, Ecotin precursor, MAGNESIUM ION, ...
Authors:Wang, S.X, Hur, E, Sousa, C.A, Brinen, L, Slivka, E.J, Fletterick, R.J.
Deposit date:2003-04-10
Release date:2003-08-26
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Extended Interactions and Gla Domain of Blood Coagulation Factor Xa
Biochemistry, 42, 2003
7L03
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BU of 7l03 by Molmil
The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.60 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-12-11
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.60 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site.
To be Published
7L00
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BU of 7l00 by Molmil
Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
Descriptor: Enoyl-Acyl Carrier Protein Reductase FabK, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Akhtar, A, Santarsiero, B.D, Hevener, K.E.
Deposit date:2020-12-10
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor
To be published
7KT0
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BU of 7kt0 by Molmil
DNA Polymerase Mu, dGTP:At Ground State Ternary Complex, 50 mM Mg2+ (60min)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KT1
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BU of 7kt1 by Molmil
DNA Polymerase Mu, dGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (180min)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KSZ
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BU of 7ksz by Molmil
DNA Polymerase Mu, dGTP:At Pre-Catalytic Ground State Ternary Complex, 10 mM Ca2+ (960min)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.417 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KSU
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BU of 7ksu by Molmil
DNA Polymerase Mu, dGTP:Ct Product State Ternary Complex, 10 mM Mn2+ (4min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KT2
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BU of 7kt2 by Molmil
DNA Polymerase Mu, dGTP:At Product State Ternary Complex, 50 mM Mn2+ (225min)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
1R89
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BU of 1r89 by Molmil
Crystal Structures of an Archaeal Class I CCA-Adding Enzyme and Its Nucleotide Complexes
Descriptor: CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiong, Y, Li, F, Wang, J, Weiner, A.M, Steitz, T.A.
Deposit date:2003-10-23
Release date:2003-12-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of an archaeal class I CCA-adding enzyme and its nucleotide complexes
Mol.Cell, 12, 2003
3PMA
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BU of 3pma by Molmil
2.2 Angstrom crystal structure of the complex between Bovine Thrombin and Sucrose Octasulfate
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CITRIC ACID, SODIUM ION, ...
Authors:Wright, H.T, Scarsdale, J.N, Desai, B.J.
Deposit date:2010-11-16
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interaction of thrombin with sucrose octasulfate.
Biochemistry, 50, 2011
7KKH
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BU of 7kkh by Molmil
P1A4 Fab in complex with ARS1620
Descriptor: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, P1A4 Fab Heavy Chain, P1A4 Fab Light Chain, ...
Authors:Basu, K, Rohweder, P.J, Zhang, Z, Bohn, M.-F, Shokat, K, Craik, C.S.
Deposit date:2020-10-27
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A covalent inhibitor of K-Ras(G12C) induces MHC class I presentation of haptenated peptide neoepitopes targetable by immunotherapy.
Cancer Cell, 40, 2022
7KSS
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BU of 7kss by Molmil
DNA Polymerase Mu, dGTP:Ct Pre-Catalytic Ground State Ternary Complex, 10 mM Ca2+ (20min)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTH
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BU of 7kth by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 10 mM Mg2+ (2160min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.476 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTB
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BU of 7ktb by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Reaction State Ternary Complex, 10 mM Mn2+ (40min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KMJ
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BU of 7kmj by Molmil
Hsa Siglec and Unique domains in complex with Sialyl Lewis C
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2020-11-03
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
7KTC
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BU of 7ktc by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 10 mM Mn2+ (120min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTI
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BU of 7kti by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 20 uM Mn2+ (120min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTD
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BU of 7ktd by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 10 mM Mn2+ (960min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
1R8C
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BU of 1r8c by Molmil
Crystal Structures of an Archaeal Class I CCA-Adding Enzyme and Its Nucleotide
Descriptor: MANGANESE (II) ION, SODIUM ION, URIDINE 5'-TRIPHOSPHATE, ...
Authors:Xiong, Y, Li, F, Wang, J, Weiner, A.M, Steitz, T.A.
Deposit date:2003-10-23
Release date:2003-12-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of an archaeal class I CCA-adding enzyme and its nucleotide complexes
Mol.Cell, 12, 2003
7KTJ
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BU of 7ktj by Molmil
DNA Polymerase Mu (K438D), 8-oxodGTP:Ct Pre-Catalytic Ground State Ternary Complex, 20 mM Ca2+ (120min)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTL
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BU of 7ktl by Molmil
DNA Polymerase Mu (K438D), 8-oxodGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (90min)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*CP*TP*AP*CP*G)-3'), ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.421 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTK
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BU of 7ktk by Molmil
DNA Polymerase Mu (K438D), 8-oxodGTP:Ct Ground State Ternary Complex, 50 mM Mg2+ (90min)
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-11-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7LH8
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BU of 7lh8 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131
Descriptor: (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Schonbrunn, E, Chan, A.
Deposit date:2021-01-21
Release date:2022-07-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Chemmedchem, 17, 2022
3NKM
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BU of 3nkm by Molmil
Crystal structure of mouse autotaxin
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
Deposit date:2010-06-20
Release date:2011-01-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011

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數據於2024-10-16公開中

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