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5WBF
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BU of 5wbf by Molmil
Double CACHE (dCACHE) sensing domain of TlpC chemoreceptor from Helicobacter pylori
Descriptor: GLYCEROL, LACTIC ACID, Methyl-accepting chemotaxis transducer (TlpC)
Authors:Machuca, M.A, Johnson, K.S, Liu, Y.C, Steer, D.L, Ottemann, K.M, Roujeinikova, A.
Deposit date:2017-06-28
Release date:2017-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Helicobacter pylori chemoreceptor TlpC mediates chemotaxis to lactate.
Sci Rep, 7, 2017
5WB6
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BU of 5wb6 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(11S)-11-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-6-fluoro-2-oxo-1,3,4,10,11,13-hexahydro-2H-5,9:15,12-di(azeno)-1,13-benzodiazacycloheptadecin-18-yl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-06-28
Release date:2017-08-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Macrocyclic factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5WBC
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BU of 5wbc by Molmil
Designed Artificial Cupredoxins - WT
Descriptor: ACETATE ION, GLYCEROL, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T, Weitz, A.C, Hendrich, M.R, Ward, T.R, Borovik, A.S.
Deposit date:2017-06-28
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Modular Artificial Cupredoxins.
J. Am. Chem. Soc., 138, 2016
5WBP
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BU of 5wbp by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
Descriptor: 3-(trifluoromethyl)quinoxalin-2(1H)-one, GLYCEROL, Ketohexokinase, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WC6
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BU of 5wc6 by Molmil
Structure of a bacterial polysialyltransferase at 2.2 Angstrom resolution
Descriptor: SULFATE ION, SiaD
Authors:Worrall, L.J, Lizak, C, Strynadka, N.C.J.
Deposit date:2017-06-29
Release date:2017-08-02
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid.
Sci Rep, 7, 2017
5WCF
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BU of 5wcf by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: (5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, A, Zeng, H, Hutch, A, Seitova, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2017-08-02
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441
to be published
5WC8
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BU of 5wc8 by Molmil
Structure of a bacterial polysialyltransferase at 2.75 Angstrom resolution
Descriptor: BROMIDE ION, SiaD
Authors:Worrall, L.J, Lizak, C, Strynadka, N.C.J.
Deposit date:2017-06-29
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid.
Sci Rep, 7, 2017
4NH4
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BU of 4nh4 by Molmil
Structure of the binary complex of a zingiber officinale double bond reductase in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Zingiber officinale double bond reductase
Authors:Langlois D'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R.
Deposit date:2013-11-04
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of zingiber officinale double bond reductase
To be Published
4NHO
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BU of 4nho by Molmil
Structure of the spliceosomal DEAD-box protein Prp28
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, MERCURY (II) ION, ...
Authors:Moehlmann, S, Neumann, P, Ficner, R.
Deposit date:2013-11-05
Release date:2014-06-18
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the human spliceosomal DEAD-box helicase Prp28.
Acta Crystallogr.,Sect.D, 70, 2014
4NI5
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BU of 4ni5 by Molmil
Crystal Structure of a Short Chain Dehydrogenase from Brucella suis
Descriptor: MAGNESIUM ION, Oxidoreductase, short-chain dehydrogenase/reductase family protein
Authors:Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-11-05
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Short Chain Dehydrogenase from Brucella suis
TO BE PUBLISHED
5WDC
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BU of 5wdc by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9e (SRI-29843)
Descriptor: 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-07-04
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5WDI
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BU of 5wdi by Molmil
Structure of Human Sts-2 histidine phosphatase domain
Descriptor: SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein A
Authors:Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B.
Deposit date:2017-07-05
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
5WE8
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BU of 5we8 by Molmil
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
Descriptor: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Xie, X, Kohls, D.
Deposit date:2017-07-07
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
4NL9
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BU of 4nl9 by Molmil
Crystal structure of the human Anks3-SAM/Anks6-SAM heterodimer
Descriptor: Ankyrin repeat and SAM domain-containing protein 3, Ankyrin repeat and SAM domain-containing protein 6, MAGNESIUM ION
Authors:Leettola, C.N, Cascio, D, Bowie, J.U.
Deposit date:2013-11-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of the SAM domain of the PKD-related protein ANKS6 and its interaction with ANKS3.
Bmc Struct.Biol., 14, 2014
5WE7
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BU of 5we7 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-29782
Descriptor: 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, D-MALATE, MANGANESE (II) ION, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-07-07
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-29782
To Be Published
4NLU
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BU of 4nlu by Molmil
Poliovirus Polymerase - G289A Loop Mutant
Descriptor: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
Authors:Sholders, A.J, Peersen, O.B.
Deposit date:2013-11-14
Release date:2014-01-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
4NM9
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BU of 4nm9 by Molmil
Crystal structure of the resting state of proline utilization A (PutA) from Geobacter sulfurreducens PCA
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Proline dehydrogenase and Delta-1-pyrroline-5-carboxylate dehydrogenase
Authors:Singh, H, Tanner, J.J.
Deposit date:2013-11-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NCL
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BU of 4ncl by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (517-970) from Chaetomium thermophilum in complex with GDP
Descriptor: Eukaryotic translation initiation factor 5B-like protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Kuhle, B, Ficner, R.
Deposit date:2013-10-24
Release date:2014-07-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.115 Å)
Cite:eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
5WJD
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BU of 5wjd by Molmil
Crystal structure of Naa80 bound to acetyl-CoA
Descriptor: ACETYL COENZYME *A, CG8481, isoform B, ...
Authors:Goris, M, Magin, R.S, Marmorstein, R, Arnesen, T.
Deposit date:2017-07-21
Release date:2018-03-28
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural determinants and cellular environment define processed actin as the sole substrate of the N-terminal acetyltransferase NAA80.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4NF2
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BU of 4nf2 by Molmil
Crystal structure of anabolic ornithine carbamoyltransferase from Bacillus anthracis in complex with carbamoyl phosphate and L-norvaline
Descriptor: CHLORIDE ION, NORVALINE, Ornithine carbamoyltransferase, ...
Authors:Shabalin, I.G, Handing, K, Cymborowski, M.T, Stam, J, Winsor, J, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-10-30
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures and kinetic properties of anabolic ornithine carbamoyltransferase from human pathogens Vibrio vulnificus and Bacillus anthracis
To be Published
5WJJ
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BU of 5wjj by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
Descriptor: Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
Authors:Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
Deposit date:2017-07-23
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
4NFN
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BU of 4nfn by Molmil
Human tau tubulin kinase 1 (TTBK1) complexed with 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol
Descriptor: 3-({5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-bromophenol, SULFATE ION, Tau-tubulin kinase 1
Authors:Sheriff, S.
Deposit date:2013-10-31
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
5WMP
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BU of 5wmp by Molmil
Crystal Structure of HLA-B7 in complex with TPR, a CMV peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-30
Release date:2018-06-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
5WM2
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BU of 5wm2 by Molmil
Crystal Structure of CahJ in Complex with Salicylic Acid and AMP
Descriptor: 2-HYDROXYBENZOIC ACID, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
4NGG
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BU of 4ngg by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 13-mer siRNA having 5'-A and UU-3' ends (2.6 Angstrom resolution)
Descriptor: 5'-R(*AP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer, PHOSPHATE ION
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-01
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014

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數據於2025-10-29公開中

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