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5X86
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Crystal structure of TMP bound thymidylate kinase from thermus thermophilus HB8
分子名称: CHLORIDE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ...
著者Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
登録日2017-03-01
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
5A8Q
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BU of 5a8q by Molmil
Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A obtained by soaking
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
登録日2015-07-16
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
5A6Z
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Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis a
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, LECB, ...
著者Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
登録日2015-07-02
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
6JEV
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BU of 6jev by Molmil
K2U bound crystal structure of class I type a peptide deformylase from Acinetobacter baumanii
分子名称: (3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid, Peptide deformylase, ZINC ION
著者Lee, I.H, Ho, T.H, Kang, L.W.
登録日2019-02-07
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献K2U bound crystal peptide deformylase from Acinetobacter baumanii
To be published
4GOP
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BU of 4gop by Molmil
Structure and Conformational Change of a Replication Protein A Heterotrimer Bound to ssDNA
分子名称: DNA (25-MER), Putative uncharacterized protein, ZINC ION
著者Pavletich, N.P, Jie, F.
登録日2012-08-20
公開日2012-11-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure and conformational change of a replication protein A heterotrimer bound to ssDNA.
Genes Dev., 26, 2012
5A8P
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BU of 5a8p by Molmil
Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide B
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
登録日2015-07-16
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
8D84
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E. faecium MurAA in complex with UDP-N-acetylmuramic acid (UNAM) and a covalent adduct of PEP with Cys119
分子名称: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Zhou, Y, Shamoo, Y.
登録日2022-06-07
公開日2023-07-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献E. faecium MurAA in complex with fosfomycin and UNAG
To Be Published
4GPH
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BU of 4gph by Molmil
Structure of HmuO, heme oxygenase from Corynebacterium diphtheriae, in complex with the putative reaction intermediates between Fe3+-biliverdin and biliverdin (data set IV)
分子名称: ASCORBIC ACID, BILIVERDINE IX ALPHA, FE (III) ION, ...
著者Unno, M, Ikeda-Saito, M.
登録日2012-08-21
公開日2013-08-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GNQ
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BU of 4gnq by Molmil
Structure of rat cytosolic PEPCK Ld_3g in complex with oxalate and GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2012-08-17
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function.
Biochemistry, 51, 2012
4WKB
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BU of 4wkb by Molmil
Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Cameron, S.A, Thomas, K, Almo, S.C, Schramm, V.L.
登録日2014-10-02
公開日2015-08-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Active site and remote contributions to catalysis in methylthioadenosine nucleosidases.
Biochemistry, 54, 2015
4WKI
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BU of 4wki by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-CHLORO-N-{[(4S)-4-(1-METHYL-1H-IMIDAZOL-2-YL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]METHYL}-1-BENZOFURAN-2-CARBOXAMIDE (compound 11)
分子名称: 1,2-ETHANEDIOL, 5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ...
著者Durbin, J.D.
登録日2014-10-02
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
4WO2
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BU of 4wo2 by Molmil
CRYSTAL STRUCTURE OF HUMAN NATIVE CKIT PROTO-ONCOGENE PROMOTER QUADRUPLEX DNA
分子名称: DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*CP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*G)-3'), POTASSIUM ION
著者wei, D, parkinson, g.n, neidle, s.
登録日2014-10-15
公開日2014-10-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献CRYSTAL STRUCTURE OF HUMAN NATIVE CKIT-1 PROTO-ONCOGENE PROMOTER QUADRUPLEX DNA
TO BE PUBLISHED
6JGA
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BU of 6jga by Molmil
Crystal structure of barley exohydrolaseI W286F in complex with 4'-nitrophenyl thiolaminaribioside
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-02-13
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
4GNJ
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BU of 4gnj by Molmil
Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase
分子名称: ARSENIC, SODIUM ION, Triosephosphate isomerase
著者Kuaprasert, B, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Leartsakulpanich, U.
登録日2012-08-17
公開日2013-09-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase
To be Published
5AC4
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BU of 5ac4 by Molmil
GH20C, Beta-hexosaminidase from Streptococcus pneumoniae in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, N-ACETYL-BETA-D-GLUCOSAMINIDASE
著者Cid, M, Robb, C.S, Higgins, M.A, Boraston, A.B.
登録日2015-08-11
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A Second beta-Hexosaminidase Encoded in the Streptococcus pneumoniae Genome Provides an Expanded Biochemical Ability to Degrade Host Glycans.
J. Biol. Chem., 290, 2015
4GNX
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BU of 4gnx by Molmil
Structure of U. maydis Replication protein A bound to ssDNA
分子名称: DNA (25-MER), Putative uncharacterized protein, ZINC ION
著者Pavletich, N.P, Fan, J.
登録日2012-08-17
公開日2013-02-20
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of
To be Published
5XAU
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BU of 5xau by Molmil
Crystal structure of integrin binding fragment of laminin-511
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, CALCIUM ION, ...
著者Takizawa, M, Arimori, T, Kitago, Y, Takagi, J, Sekiguchi, K.
登録日2017-03-15
公開日2017-09-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanistic basis for the recognition of laminin-511 by alpha 6 beta 1 integrin.
Sci Adv, 3, 2017
5ACB
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BU of 5acb by Molmil
Crystal Structure of the Human Cdk12-Cyclink Complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2015-08-14
公開日2016-06-15
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
4WM2
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BU of 4wm2 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 600 MPa
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Yamada, H, Nagae, T, Watanabe, N.
登録日2014-10-08
公開日2015-04-08
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
4GOL
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BU of 4gol by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Methylated Aza-SAM
分子名称: DNA adenine methylase, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE
著者Harmer, J.E, Roach, P.L.
登録日2012-08-20
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be Published
6JJH
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BU of 6jjh by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4
分子名称: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
著者Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
登録日2019-02-25
公開日2020-02-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
4WPZ
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BU of 4wpz by Molmil
Crystal structure of cytochrome P450 CYP107W1 from Streptomyces avermitilis
分子名称: Cytochrome P450, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Kang, L.W, Kim, D.H, Pham, T.V, Han, S.H.
登録日2014-10-21
公開日2015-04-22
最終更新日2015-04-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional characterization of CYP107W1 from Streptomyces avermitilis and biosynthesis of macrolide oligomycin A.
Arch.Biochem.Biophys., 575, 2015
6JK4
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Ca2+-dependent type II antifreeze protein
分子名称: CALCIUM ION, Type II antifreeze protein
著者Arai, T, Tsuda, S, Kondo, H, Nishimiya, Y.
登録日2019-02-27
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Calcium-Binding Generates the Semi-Clathrate Waters on a Type II Antifreeze Protein to Adsorb onto an Ice Crystal Surface.
Biomolecules, 9, 2019
5AEE
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BU of 5aee by Molmil
A bacterial protein structure in glycoside hydrolase family 31
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ALPHA-GLUCOSIDASE YIHQ, ...
著者Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D.
登録日2015-08-28
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
4WMA
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Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese,acceptor ligand and UDP-Glucose
分子名称: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ...
著者Yu, H, Li, H.
登録日2014-10-08
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism.
Nat.Chem.Biol., 11, 2015

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