3INQ
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![BU of 3inq by Molmil](/molmil-images/mine/3inq) | Crystal structure of BCL-XL in complex with W1191542 | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ... | 著者 | Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F. | 登録日 | 2009-08-12 | 公開日 | 2009-09-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands J. Biol. Chem., 284, 2009
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3PFP
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![BU of 3pfp by Molmil](/molmil-images/mine/3pfp) | Structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with an active site inhibitor | 分子名称: | (2R)-2,7-bis(phosphonooxy)heptanoic acid, (2S)-2,7-bis(phosphonooxy)heptanoic acid, CHLORIDE ION, ... | 著者 | Reichau, S, Jiao, W, Walker, S.R, Hutton, R.D, Parker, E.J, Baker, E.N. | 登録日 | 2010-10-28 | 公開日 | 2011-03-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Potent inhibitors of a shikimate pathway enzyme from Mycobacterium tuberculosis: combining mechanism- and modeling-based design J.Biol.Chem., 286, 2011
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6D3H
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![BU of 6d3h by Molmil](/molmil-images/mine/6d3h) | FT_T dioxygenase with bound dichlorprop | 分子名称: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ... | 著者 | Rydel, T.J, Halls, C.E. | 登録日 | 2018-04-16 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
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2XX7
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![BU of 2xx7 by Molmil](/molmil-images/mine/2xx7) | Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | 分子名称: | 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | 登録日 | 2010-11-09 | 公開日 | 2011-04-06 | 最終更新日 | 2011-09-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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6D0O
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![BU of 6d0o by Molmil](/molmil-images/mine/6d0o) | rdpA dioxygenase holoenzyme | 分子名称: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION | 著者 | Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A. | 登録日 | 2018-04-10 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
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5VWW
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![BU of 5vww by Molmil](/molmil-images/mine/5vww) | Bak core latch dimer in complex with Bim-RT - Tetragonal | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, BROMIDE ION, Bcl-2 homologous antagonist/killer, ... | 著者 | 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 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.802 Å) | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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2XX8
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![BU of 2xx8 by Molmil](/molmil-images/mine/2xx8) | Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | 分子名称: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | 登録日 | 2010-11-09 | 公開日 | 2011-04-27 | 最終更新日 | 2011-09-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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2XXH
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![BU of 2xxh by Molmil](/molmil-images/mine/2xxh) | Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution. | 分子名称: | 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | 登録日 | 2010-11-10 | 公開日 | 2011-04-06 | 最終更新日 | 2011-09-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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7M8V
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![BU of 7m8v by Molmil](/molmil-images/mine/7m8v) | Human CYP11B2 in complex with LCI699 | 分子名称: | 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ... | 著者 | Scott, E.E, Brixius-Anderko, S. | 登録日 | 2021-03-30 | 公開日 | 2021-06-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | 主引用文献 | Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design. Hypertension, 78, 2021
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1TGS
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![BU of 1tgs by Molmil](/molmil-images/mine/1tgs) | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION | 分子名称: | CALCIUM ION, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE), SULFATE ION, ... | 著者 | Bolognesi, M, Gatti, G, Menegatti, E, Guarneri, M, Marquart, M, Papamokos, E, Huber, R. | 登録日 | 1982-09-27 | 公開日 | 1983-01-18 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Three-dimensional structure of the complex between pancreatic secretory trypsin inhibitor (Kazal type) and trypsinogen at 1.8 A resolution. Structure solution, crystallographic refinement and preliminary structural interpretation. J.Mol.Biol., 162, 1982
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1NBM
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![BU of 1nbm by Molmil](/molmil-images/mine/1nbm) | THE STRUCTURE OF BOVINE F1-ATPASE COVALENTLY INHIBITED WITH 4-CHLORO-7-NITROBENZOFURAZAN | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, F1-ATPASE, ... | 著者 | Orriss, G.L, Leslie, A.G.W, Braig, K, Walker, J.E. | 登録日 | 1998-04-30 | 公開日 | 1998-08-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Bovine F1-ATPase covalently inhibited with 4-chloro-7-nitrobenzofurazan: the structure provides further support for a rotary catalytic mechanism. Structure, 6, 1998
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4M8O
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![BU of 4m8o by Molmil](/molmil-images/mine/4m8o) | TERNARY COMPLEX OF DNA POLYMERASE EPSILON WITH AN INCOMING dATP | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINOETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Sauer-Eriksson, A.E, Hogg, M, Osterman, P, Johansson, E. | 登録日 | 2013-08-13 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for processive DNA synthesis by yeast DNA polymerase epsilon. Nat.Struct.Mol.Biol., 21, 2014
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6D9G
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1JZL
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![BU of 1jzl by Molmil](/molmil-images/mine/1jzl) | Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide. | 分子名称: | CARBON MONOXIDE, GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | 登録日 | 2001-09-16 | 公開日 | 2001-12-19 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity. Biochemistry, 40, 2001
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5SVK
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![BU of 5svk by Molmil](/molmil-images/mine/5svk) | Crystal structure of the ATP-gated human P2X3 ion channel in the ATP-bound, open state | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | 登録日 | 2016-08-06 | 公開日 | 2016-09-28 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.773 Å) | 主引用文献 | X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
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4NHF
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1O5E
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![BU of 1o5e by Molmil](/molmil-images/mine/1o5e) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | 分子名称: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, Serine protease hepsin | 著者 | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | 登録日 | 2003-09-09 | 公開日 | 2004-09-21 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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2XXI
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![BU of 2xxi by Molmil](/molmil-images/mine/2xxi) | Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution. | 分子名称: | 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | 登録日 | 2010-11-10 | 公開日 | 2011-04-06 | 最終更新日 | 2011-09-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators. J.Med.Chem., 54, 2011
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3Q4D
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![BU of 3q4d by Molmil](/molmil-images/mine/3q4d) | Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala | 分子名称: | ALANINE, D-ALANINE, MAGNESIUM ION, ... | 著者 | Lukk, T, Gerlt, J.A, Nair, S.K. | 登録日 | 2010-12-23 | 公開日 | 2011-02-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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4FAM
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![BU of 4fam by Molmil](/molmil-images/mine/4fam) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | 著者 | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | 登録日 | 2012-05-22 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4F1E
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![BU of 4f1e by Molmil](/molmil-images/mine/4f1e) | The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly | 分子名称: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | 著者 | Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | 登録日 | 2012-05-06 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
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1LT3
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![BU of 1lt3 by Molmil](/molmil-images/mine/1lt3) | HEAT-LABILE ENTEROTOXIN DOUBLE MUTANT N40C/G166C | 分子名称: | HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Van Den Akker, F, Hol, W.G.J. | 登録日 | 1997-04-12 | 公開日 | 1997-07-07 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of heat-labile enterotoxin from Escherichia coli with increased thermostability introduced by an engineered disulfide bond in the A subunit. Protein Sci., 6, 1997
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1LGN
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3PRM
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![BU of 3prm by Molmil](/molmil-images/mine/3prm) | Structural analysis of a viral OTU domain protease from the Crimean-Congo Hemorrhagic Fever virus in complex with human ubiquitin | 分子名称: | Polyubiquitin-B (Fragment), RNA-directed RNA polymerase L | 著者 | Capodagli, G.C, McKercher, M.A, Baker, E.A, Masters, E.M, Brunzelle, J.S, Pegan, S.D. | 登録日 | 2010-11-30 | 公開日 | 2011-01-26 | 最終更新日 | 2023-02-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural analysis of a viral ovarian tumor domain protease from the crimean-congo hemorrhagic Fever virus in complex with covalently bonded ubiquitin. J.Virol., 85, 2011
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5ED7
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![BU of 5ed7 by Molmil](/molmil-images/mine/5ed7) | |