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7KT7
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DNA Polymerase Mu, 8-oxodGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (60min)
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:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTE
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BU of 7kte by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Reaction State Ternary Complex, 50 mM Mg2+ (90min)
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:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7KTG
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DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 50 mM Mg2+ (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:2021-12-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.445 Å)
Cite:Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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
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
6EJ8
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BU of 6ej8 by Molmil
Human Xylosyltransferase 1 in complex with peptide QEEEGSGGGQGG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein AMBP, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
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:2023-10-18
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
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
4NI3
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BU of 4ni3 by Molmil
Crystal Structure of GH29 family alpha-L-fucosidase from Fusarium graminearum in the closed form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-fucosidase GH29, ...
Authors:Cao, H, Walton, J.D, Brumm, P, Phillips Jr, G.N.
Deposit date:2013-11-05
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3993 Å)
Cite:Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum.
J.Biol.Chem., 289, 2014
6EO6
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BU of 6eo6 by Molmil
X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA63A - TBA MODIFIED APTAMER, ...
Authors:Dolot, R.M, Nawrot, B, Yang, X.
Deposit date:2017-10-09
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
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
7MFP
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BU of 7mfp by Molmil
crystal structure of the L136 aminotransferase K185A from acanthamoeba polyphaga mimivirus in the presence of the UDP-viosamine external aldimine
Descriptor: (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seltzner, C.A, Thoden, J.B, Holden, H.M.
Deposit date:2021-04-10
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
7MFQ
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BU of 7mfq by Molmil
crystal structure of the L136 aminotransferase from acanthamoeba polyphaga mimivirus in complex with the TDP-viosamine external aldimine
Descriptor: (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seltzner, C.A, Thoden, J.B, Holden, H.M.
Deposit date:2021-04-10
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
7XYR
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BU of 7xyr by Molmil
Cystal Structure of Beta-glucuronidase from Bacteroides thetaiotaomicron
Descriptor: Beta-glucuronidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Teng, X, Wang, C.
Deposit date:2022-06-02
Release date:2023-07-05
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cystal Structure of Beta-glucuronidase from Bacteroides thetaiotaomicron
To Be Published
7ML9
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BU of 7ml9 by Molmil
The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ...
Authors:Rydel, T.J, Zheng, M, Evdokimov, A.
Deposit date:2021-04-27
Release date:2021-05-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
7M3Q
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BU of 7m3q by Molmil
Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ...
Authors:Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S.
Deposit date:2021-03-18
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published
7XU8
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BU of 7xu8 by Molmil
Structure of the complex of camel peptidoglycan recognition protein-short (PGRP-S) with heptanoic acid at 2.15 A resolution.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CARBONATE ION, ...
Authors:Maurya, A, Ahmad, N, Viswanathan, V, Singh, P.K, Yamini, S, Sharma, P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2022-05-18
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Ligand recognition by peptidoglycan recognition protein-S (PGRP-S): structure of the complex of camel PGRP-S with heptanoic acid at 2.15 angstrom resolution.
Int J Biochem Mol Biol, 13, 2022
4MMZ
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BU of 4mmz by Molmil
Integrin AlphaVBeta3 ectodomain bound to an antagonistic tenth domain of Fibronectin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fibronectin, ...
Authors:van Agthoven, J, Xiong, J, Arnaout, M.A.
Deposit date:2013-09-09
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for pure antagonism of integrin alpha V beta 3 by a high-affinity form of fibronectin.
Nat.Struct.Mol.Biol., 21, 2014
7JZ0
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BU of 7jz0 by Molmil
Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH).
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-09-01
Release date:2020-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of SARS-CoV-2 2'-O-methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design
Biorxiv, 2020
7K96
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BU of 7k96 by Molmil
Human DNA polymerase beta ternary complex with templating cytosine and incoming deoxyguanosine diphosphate
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Varela, F.A, Freudenthal, B.D.
Deposit date:2020-09-28
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of Deoxyguanosine Diphosphate Insertion by Human DNA Polymerase beta.
Biochemistry, 60, 2021
7K97
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BU of 7k97 by Molmil
Human DNA polymerase beta dGDP product complex with Mn2+
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Varela, F.A, Freudenthal, B.D.
Deposit date:2020-09-28
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of Deoxyguanosine Diphosphate Insertion by Human DNA Polymerase beta.
Biochemistry, 60, 2021
7KDS
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BU of 7kds by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
Descriptor: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase 2, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-10-09
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
To Be Published
7KBU
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BU of 7kbu by Molmil
Structure of Hevin FS-EC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Machius, M, Fan, S, Rudenko, G.
Deposit date:2020-10-03
Release date:2021-02-10
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges.
Structure, 29, 2021

223790

數據於2024-08-14公開中

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