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2WCT
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BU of 2wct by Molmil
human SARS coronavirus unique domain (triclinic form)
分子名称: NON-STRUCTURAL PROTEIN 3
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R.
登録日2009-03-16
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
3ZJY
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BU of 3zjy by Molmil
Crystal Structure of Importin 13 - RanGTP - eIF1A complex
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 1A, X-CHROMOSOMAL, GTP-BINDING NUCLEAR PROTEIN RAN, ...
著者Gruenwald, M, Lazzaretti, D, Bono, F.
登録日2013-01-21
公開日2013-04-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural Basis for the Nuclear Export Activity of Importin13.
Embo J., 32, 2013
2W77
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Structures of P. aeruginosa FpvA bound to heterologous pyoverdines: FpvA-Pvd(Pfl18.1)-Fe complex
分子名称: (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, FE (III) ION, ...
著者Greenwald, J, Nader, M, Celia, H, Gruffaz, C, Meyer, J.-M, Schalk, I.J, Pattus, F.
登録日2008-12-20
公開日2009-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Fpva Bound to Non-Cognate Pyoverdines: Molecular Basis of Siderophore Recognition by an Iron Transporter.
Mol.Microbiol., 72, 2009
5UCY
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BU of 5ucy by Molmil
Cryo-EM map of protofilament of microtubule doublet
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H.
登録日2016-12-22
公開日2017-05-10
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
2VU4
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BU of 2vu4 by Molmil
Structure of PsbP protein from Spinacia oleracea at 1.98 A resolution
分子名称: OXYGEN-EVOLVING ENHANCER PROTEIN 2, ZINC ION
著者Lapkouski, M, Ristvejova, R, Arellano, J.B, Revuelta, J.L, Kuta Smatanova, I, Ettrich, R.
登録日2008-05-21
公開日2009-07-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Raman Spectroscopy Adds Complementary Detail to the High-Resolution X-Ray Crystal Structure of Photosynthetic Psbp from Spinacia Oleracea.
Plos One, 7, 2012
5UF5
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BU of 5uf5 by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer)
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5UDU
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LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with manganese
分子名称: Lactate racemization operon protein LarE, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
登録日2016-12-28
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.792 Å)
主引用文献Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2W0R
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BU of 2w0r by Molmil
Crystal structure of the mutated N263D YscU C-terminal domain
分子名称: CHLORIDE ION, YSCU
著者Wiesand, U, Sorg, I, Amstutz, M, Wagner, S, Van Den Heuvel, J, Luehrs, T, Cornelis, G.R, Heinz, D.W.
登録日2008-10-06
公開日2008-11-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the Type III Secretion Recognition Protein Yscu from Yersinia Enterocolitica
J.Mol.Biol., 385, 2009
5UEN
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BU of 5uen by Molmil
Crystal structure of the human adenosine A1 receptor A1AR-bRIL in complex with the covalent antagonist DU172 at 3.2A resolution
分子名称: 4-{[3-(8-cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzene-1-sulfonyl fluoride, Adenosine receptor A1,Soluble cytochrome b562,Adenosine receptor A1, OLEIC ACID
著者Glukhova, A, Thal, D.M, Nguyen, A.T, Vecchio, E.A, Jorg, M, Scammells, P.J, May, L.T, Sexton, P.M, Christopoulos, A.
登録日2017-01-03
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of the Adenosine A1 Receptor Reveals the Basis for Subtype Selectivity.
Cell, 168, 2017
2VTD
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BU of 2vtd by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
分子名称: N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
著者Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
登録日2008-05-14
公開日2008-11-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
2WBD
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BU of 2wbd by Molmil
FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR
分子名称: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide
著者Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E.
登録日2009-02-26
公開日2009-12-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes.
Bioorg.Med.Chem.Lett., 20, 2010
5U23
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BU of 5u23 by Molmil
X-ray structure of the WlaRG aminotransferase from Campylobacter jejuni in complex with TDP-Qui3N
分子名称: (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-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, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
著者Holden, H.M, Thoden, J.B, Dow, G.T, Gilbert, M.
登録日2016-11-29
公開日2017-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
2VWL
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BU of 2vwl by Molmil
Aminopyrrolidine Factor Xa inhibitor
分子名称: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W.
登録日2008-06-26
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
6YTD
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BU of 6ytd by Molmil
CLK1 V324A mutant bound with benzothiazole Tg003 (Cpd 2)
分子名称: (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1
著者Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-24
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
6YTI
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CLK1 bound with ETH1610 (Cpd 17)
分子名称: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
著者Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-24
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
2VUU
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BU of 2vuu by Molmil
Crystal structure of NADP-bound NmrA-AreA zinc finger complex
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ...
著者Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K.
登録日2008-05-30
公開日2008-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
2W9E
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BU of 2w9e by Molmil
Structure of ICSM 18 (anti-Prp therapeutic antibody) Fab fragment complexed with human Prp fragment 119-231
分子名称: ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN, MAJOR PRION PROTEIN, ...
著者Antonyuk, S.V, Trevitt, C.R, Strange, R.W, Jackson, G.S, Sangar, D, Batchelor, M, Jones, S, Georgiou, T, Cooper, S, Fraser, C, Khalili-Shirazi, A, Clarke, A.R, Hasnain, S.S, Collinge, J.
登録日2009-01-23
公開日2009-02-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Human Prion Protein Bound to a Therapeutic Antibody.
Proc.Natl.Acad.Sci.USA, 106, 2009
5U3X
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Human PPARdelta ligand-binding domain in complexed with specific agonist 8
分子名称: 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ...
著者Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P.
登録日2016-12-03
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6ZGZ
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BU of 6zgz by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
分子名称: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
著者Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
登録日2020-06-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
2VZ9
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Crystal Structure of Mammalian Fatty Acid Synthase in complex with NADP
分子名称: FATTY ACID SYNTHASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Maier, T, Leibundgut, M, Ban, N.
登録日2008-07-31
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The Crystal Structure of a Mammalian Fatty Acid Synthase.
Science, 321, 2008
2VVV
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Aminopyrrolidine-related triazole Factor Xa inhibitor
分子名称: 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W.
登録日2008-06-12
公開日2009-07-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2VXN
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E65Q-TIM complexed with phosphoglycolohydroxamate at 0.82 A resolution
分子名称: 2-PHOSPHOGLYCOLIC ACID, ACETATE ION, GLYCEROL, ...
著者Alahuhta, M, Wierenga, R.K.
登録日2008-07-08
公開日2009-07-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (0.82 Å)
主引用文献Atomic Resolution Crystallography of a Complex of Triosephosphate Isomerase with a Reaction-Intermediate Analog: New Insight in the Proton Transfer Reaction Mechanism
Proteins, 78, 2010
2VWP
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Haloferax mediterranei glucose dehydrogenase in complex with NADPH and Zn.
分子名称: GLUCOSE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
著者Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
登録日2008-06-26
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2WD0
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CRYSTAL STRUCTURE OF NONSYNDROMIC DEAFNESS (DFNB12) ASSOCIATED MUTANT D124G OF MOUSE CADHERIN-23 EC1-2
分子名称: CADHERIN-23, CALCIUM ION, CHLORIDE ION, ...
著者Sotomayor, M, Weihofen, W, Gaudet, R, Corey, D.P.
登録日2009-03-18
公開日2010-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural Determinants of Cadherin-23 Function in Hearing and Deafness.
Neuron, 66, 2010
5UDS
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LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with MgATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Lactate racemization operon protein LarE, MAGNESIUM ION, ...
著者Fellner, M, Desguin, B, Hausinger, R.P, Hu, J.
登録日2016-12-28
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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