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All PDB entries with X-ray structure factor data
4XRU
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BU of 4xru by Molmil
Structure of Pnkp1/Rnl/Hen1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Wang, P.
Deposit date:2015-01-21
Release date:2015-04-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Reconstitution and structure of a bacterial Pnkp1-Rnl-Hen1 RNA repair complex.
Nat Commun, 6, 2015
4XRW
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BU of 4xrw by Molmil
Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL
Authors:Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
Deposit date:2015-01-21
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XRX
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Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2015-12-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XRY
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BU of 4xry by Molmil
Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex
Descriptor: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnson, E.F, Fan, Y.
Deposit date:2015-01-21
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
4XRZ
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Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex
Descriptor: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ...
Authors:Johnson, E.F, Fan, Y.
Deposit date:2015-01-21
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors.
J.Med.Chem., 58, 2015
4XS0
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BU of 4xs0 by Molmil
Human methemoglobin in complex with the second and third NEAT domains of IsdH(F365Y/A369F/Y642A) from Staphylococcus aureus
Descriptor: CHLORIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A.
Deposit date:2015-01-21
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The structure of haemoglobin bound to the haemoglobin receptor IsdH from Staphylococcus aureus shows disruption of the native alpha-globin haem pocket.
Acta Crystallogr.,Sect.D, 71, 2015
4XS1
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BU of 4xs1 by Molmil
Salmonella typhimurium AhpC T43V mutant
Descriptor: Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ...
Authors:Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
Deposit date:2015-01-21
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XS2
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BU of 4xs2 by Molmil
Irak4-inhibitor co-structure
Descriptor: (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, Interleukin-1 receptor-associated kinase 4
Authors:Fischmann, T.O.
Deposit date:2015-01-21
Release date:2015-05-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4.
Bioorg.Med.Chem.Lett., 25, 2015
4XS3
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Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2016-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XS4
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BU of 4xs4 by Molmil
Salmonella typhimurium AhpC C165S mutant
Descriptor: Alkyl hydroperoxide reductase subunit C, POTASSIUM ION
Authors:Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
Deposit date:2015-01-21
Release date:2016-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XS5
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BU of 4xs5 by Molmil
Crystal structure of Sulfate transporter/antisigma-factor antagonist STAS from Dyadobacter fermentans DSM 18053
Descriptor: Sulfate transporter/antisigma-factor antagonist STAS
Authors:Chang, C, Cuff, M, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-01-21
Release date:2015-02-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Sulfate transporter/antisigma-factor antagonist STAS from Dyadobacter fermentans DSM 18053
To Be Published
4XS6
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BU of 4xs6 by Molmil
Salmonella typhimurium AhpC W81F mutant
Descriptor: Alkyl hydroperoxide reductase subunit C, POTASSIUM ION
Authors:Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A.
Deposit date:2015-01-21
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
4XS7
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BU of 4xs7 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XS9
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BU of 4xs9 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XSA
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BU of 4xsa by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XSB
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BU of 4xsb by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XSC
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BU of 4xsc by Molmil
Complex structure of thymidylate synthase from varicella zoster virus with a phosphorylated BVDU
Descriptor: (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PENTAETHYLENE GLYCOL, Thymidylate synthase
Authors:Hew, K.
Deposit date:2015-01-22
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine.
Plos One, 10, 2015
4XSD
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BU of 4xsd by Molmil
Complex structure of thymidylate synthase from varicella zoster virus with a dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Hew, K.
Deposit date:2015-01-22
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine.
Plos One, 10, 2015
4XSE
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BU of 4xse by Molmil
Complex structure of thymidylate synthase from varicella zoster virus
Descriptor: PHOSPHATE ION, Thymidylate synthase
Authors:Hew, K.
Deposit date:2015-01-22
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine.
Plos One, 10, 2015
4XSG
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BU of 4xsg by Molmil
The complex structure of C3cer exoenzyme and GTP bound RhoA (NADH-free state)
Descriptor: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADP-ribosyltransferase, ...
Authors:Toda, A, Tsurumura, T, Yoshida, T, Tsuge, H.
Deposit date:2015-01-22
Release date:2015-06-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rho GTPase Recognition by C3 Exoenzyme Based on C3-RhoA Complex Structure.
J.Biol.Chem., 290, 2015
4XSH
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BU of 4xsh by Molmil
The complex structure of C3cer exoenzyme and GTP bound RhoA (NADH-bound state)
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ...
Authors:Toda, A, Tsurumura, T, Yoshida, T, Tsuge, H.
Deposit date:2015-01-22
Release date:2015-06-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rho GTPase Recognition by C3 Exoenzyme Based on C3-RhoA Complex Structure.
J.Biol.Chem., 290, 2015
4XSJ
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BU of 4xsj by Molmil
Crystal structure of the N-terminal domain of the human mitochondrial calcium uniporter fused with T4 lysozyme
Descriptor: Lysozyme,Calcium uniporter protein, mitochondrial, SULFATE ION
Authors:Lee, Y, Min, C.K, Kim, T.G, Song, H.K, Lim, Y, Kim, D, Shin, K, Kang, M, Kang, J.Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Lim, J.J, Kim, J.H, Kim, J.H, Park, Z.Y, Kim, Y.-S, Wang, J, Kim, D.H, Eom, S.H.
Deposit date:2015-01-22
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of the N-terminal domain of the human mitochondrial calcium uniporter.
Embo Rep., 16, 2015
4XSK
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BU of 4xsk by Molmil
Structure of PAItrap, an uPA mutant
Descriptor: GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M.
Deposit date:2015-01-22
Release date:2016-02-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of PAItrap, an uPA mutant
To Be Published
4XSL
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BU of 4xsl by Molmil
Crystal strcutre of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with glycerol
Descriptor: D-tagatose 3-epimerase, GLYCEROL, MANGANESE (II) ION
Authors:Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016
4XSM
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BU of 4xsm by Molmil
Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with D-talitol
Descriptor: D-altritol, D-tagatose 3-epimerase, MANGANESE (II) ION
Authors:Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates
Appl. Microbiol. Biotechnol., 100, 2016

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数据于2025-07-23公开中

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