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PDB: 89169 件
7KTH
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BU of 7kth by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 10 mM Mg2+ (2160min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-11-24
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.476 Å)
主引用文献Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
7BCM
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BU of 7bcm by Molmil
The DDR1 Kinase Domain Bound To SR302
分子名称: Epithelial discoidin domain-containing receptor 1, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
著者Mathea, S, Chatterjee, D, Preuss, F, Roehm, S, Joerger, A, Knapp, S.
登録日2020-12-20
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 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)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-11-24
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.576 Å)
主引用文献Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
分子名称: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-29
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
7KTC
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BU of 7ktc by Molmil
DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 10 mM Mn2+ (120min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-11-24
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献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)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-11-24
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
6EFN
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BU of 6efn by Molmil
Structure of a RiPP maturase, SkfB
分子名称: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Grell, T.A.J, Drennan, C.L.
登録日2018-08-16
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献Structure of a RiPP maturase, SkfB
J.Biol.Chem., 2018
5VTX
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BU of 5vtx by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225M/L226T/S228A mutant apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
著者Wu, N.C, Wilson, I.A.
登録日2017-05-18
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Cell Host Microbe, 21, 2017
4YAM
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BU of 4yam by Molmil
Crystal structure of LigE-apo form from Sphingobium sp. strain SYK-6
分子名称: Beta-etherase
著者Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D.
登録日2015-02-17
公開日2015-12-16
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
J.Biol.Chem., 291, 2016
5VW2
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BU of 5vw2 by Molmil
NADPH soak of Y316S mutant of corn root ferredoxin:NADP+ reductase
分子名称: ACETATE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
著者Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A.
登録日2017-05-21
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
5CGC
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BU of 5cgc by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ...
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
6EHT
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BU of 6eht by Molmil
Modulation of PCNA sliding surface by p15PAF suggests a suppressive mechanism for cisplatin-induced DNA lesion bypass by pol eta holoenzyme
分子名称: DNA (5'-D(P*AP*TP*AP*CP*GP*AP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*TP*CP*GP*TP*AP*T)-3'), PCNA-associated factor, ...
著者De March, M, Barrera-Vilarmau, S, Mentegari, E, Merino, N, Bressan, E, Maga, G, Crehuet, R, Onesti, S, Blanco, F.J, De Biasio, A.
登録日2017-09-15
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献p15PAF binding to PCNA modulates the DNA sliding surface.
Nucleic Acids Res., 46, 2018
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)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*CP*TP*AP*CP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-11-24
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.421 Å)
主引用文献Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
4YAY
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BU of 4yay by Molmil
XFEL structure of human Angiotensin Receptor
分子名称: 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor
著者Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR)
登録日2015-02-18
公開日2015-04-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
5VVH
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BU of 5vvh by Molmil
Crystal Structure of the Effector Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens
分子名称: FORMIC ACID, Octopine catabolism/uptake operon regulatory protein OccR, SULFATE ION
著者Kim, Y, Chhor, G, Jedrzejczak, R, Winans, S.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2017-05-19
公開日2017-06-21
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Ligand-Binding Domain of a LysR-type Transcriptional Regulator: Transcriptional Activation via a Rotary Switch.
Mol. Microbiol., 2018
5VX3
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BU of 5vx3 by Molmil
Bcl-xL in complex with Bim-h3Pc-RT
分子名称: 1,2-ETHANEDIOL, Bcl-2-like protein 1, Bcl-2-like protein 11
著者Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2017-05-23
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5CLD
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BU of 5cld by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an oxocarbenium-intermediate analog and a free 3-methyladenine nucleobase
分子名称: 3-METHYL-3H-PURIN-6-YLAMINE, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2015-07-16
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
5VW3
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BU of 5vw3 by Molmil
NADP+ soak of Y316S mutant of corn root ferredoxin:NADP+ reductase
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ...
著者Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A.
登録日2017-05-21
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.453 Å)
主引用文献High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017
5CGD
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BU of 5cgd by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile - (HTL14242)
分子名称: 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, OLEIC ACID
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
6EKQ
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BU of 6ekq by Molmil
Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2
分子名称: NITRATE ION, Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-09-26
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
6VD6
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BU of 6vd6 by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate 4-nitrophenol
分子名称: 1,2-ETHANEDIOL, Dehaloperoxidase B, Mesoheme, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
登録日2019-12-23
公開日2020-12-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.563 Å)
主引用文献Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
7BE5
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BU of 7be5 by Molmil
Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276
分子名称: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-12-22
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8000524 Å)
主引用文献Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
6EL8
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BU of 6el8 by Molmil
Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA
分子名称: DNA (5'-D(*GP*GP*TP*GP*GP*CP*GP*TP*CP*TP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*AP*GP*AP*CP*GP*CP*CP*AP*CP*C)-3'), Forkhead box protein N1
著者Newman, J.A, Aitkenhead, H.A, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2017-09-28
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA
To be published
4UHB
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BU of 4uhb by Molmil
Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1
分子名称: 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL
著者Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M.
登録日2015-03-23
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
4Y45
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BU of 4y45 by Molmil
Endothiapepsin in complex with fragment 291
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published

225158

件を2024-09-18に公開中

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