7GMK
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![BU of 7gmk by Molmil](/molmil-images/mine/7gmk) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-d899bab6-1 (Mpro-P2201) | Descriptor: | 2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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7GMW
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![BU of 7gmw by Molmil](/molmil-images/mine/7gmw) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e119ab4f-1 (Mpro-P2224) | Descriptor: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.826 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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4ECS
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![BU of 4ecs by Molmil](/molmil-images/mine/4ecs) | Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 80 sec | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Nakamura, T, Zhao, Y, Yang, W. | Deposit date: | 2012-03-26 | Release date: | 2012-07-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Watching DNA polymerase eta make a phosphodiester bond Nature, 487, 2012
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7GNJ
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![BU of 7gnj by Molmil](/molmil-images/mine/7gnj) | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-976a33d5-1 (Mpro-P2724) | Descriptor: | 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-11 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023
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4ECX
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![BU of 4ecx by Molmil](/molmil-images/mine/4ecx) | Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 300 sec | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Nakamura, T, Zhao, Y, Yang, W. | Deposit date: | 2012-03-26 | Release date: | 2012-07-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | Watching DNA polymerase eta make a phosphodiester bond Nature, 487, 2012
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3NIH
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![BU of 3nih by Molmil](/molmil-images/mine/3nih) | The structure of UBR box (RIAAA) | Descriptor: | E3 ubiquitin-protein ligase UBR1, Peptide RIAAA, ZINC ION | Authors: | Choi, W.S, Jeong, B.-C, Lee, M.-R, Song, H.K. | Deposit date: | 2010-06-16 | Release date: | 2010-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the recognition of N-end rule substrates by the UBR box of ubiquitin ligases Nat.Struct.Mol.Biol., 17, 2010
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1FJ1
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![BU of 1fj1 by Molmil](/molmil-images/mine/1fj1) | |
4FO9
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![BU of 4fo9 by Molmil](/molmil-images/mine/4fo9) | Crystal structure of the E3 SUMO Ligase PIAS2 | Descriptor: | E3 SUMO-protein ligase PIAS2, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Dong, A, Hu, J, Dobrovetsky, E, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-20 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of the E3 SUMO Ligase PIAS2 to be published
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4FLK
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![BU of 4flk by Molmil](/molmil-images/mine/4flk) | Human MetAP1 with bengamide analog Y10, in Mn form | Descriptor: | (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | Authors: | Ye, Q.Z, Xu, W. | Deposit date: | 2012-06-14 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
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1FLG
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![BU of 1flg by Molmil](/molmil-images/mine/1flg) | CRYSTAL STRUCTURE OF THE QUINOPROTEIN ETHANOL DEHYDROGENASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | CALCIUM ION, PROTEIN (QUINOPROTEIN ETHANOL DEHYDROGENASE), PYRROLOQUINOLINE QUINONE | Authors: | Keitel, T, Diehl, A, Knaute, T, Stezowski, J.J, Hohne, W, Gorisch, H. | Deposit date: | 2000-08-14 | Release date: | 2000-08-30 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray structure of the quinoprotein ethanol dehydrogenase from Pseudomonas aeruginosa: basis of substrate specificity. J.Mol.Biol., 297, 2000
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6KNT
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![BU of 6knt by Molmil](/molmil-images/mine/6knt) | Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332) | Descriptor: | Putative metal-dependent hydrolase, ZINC ION | Authors: | Na, H.W, Namgung, B, Song, W.S, Yoon, S.I. | Deposit date: | 2019-08-07 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis. Biochem.Biophys.Res.Commun., 519, 2019
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1FI7
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![BU of 1fi7 by Molmil](/molmil-images/mine/1fi7) | Solution structure of the imidazole complex of cytochrome C | Descriptor: | CYTOCHROME C, HEME C, IMIDAZOLE | Authors: | Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D. | Deposit date: | 2000-08-03 | Release date: | 2000-08-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c J.Biol.Inorg.Chem., 6, 2001
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4FK7
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![BU of 4fk7 by Molmil](/molmil-images/mine/4fk7) | Crystal structure of Certhrax catalytic domain | Descriptor: | CHLORIDE ION, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Putative ADP-ribosyltransferase Certhrax, ... | Authors: | Hong, B.S, Dimov, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-12 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus. J.Biol.Chem., 287, 2012
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4FMM
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![BU of 4fmm by Molmil](/molmil-images/mine/4fmm) | Dimeric Sec14 family homolog 3 from Saccharomyces cerevisiae presents some novel features of structure that lead to a surprising "dimer-monomer" state change induced by substrate binding | Descriptor: | GLYCEROL, MAGNESIUM ION, Phosphatidylinositol transfer protein PDR16 | Authors: | Yuan, Y, Zhao, W, Wang, X, Gao, Y, Niu, L, Teng, M. | Deposit date: | 2012-06-18 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Dimeric Sfh3 has structural changes in its binding pocket that are associated with a dimer-monomer state transformation induced by substrate binding. Acta Crystallogr.,Sect.D, 69, 2013
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4FMW
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![BU of 4fmw by Molmil](/molmil-images/mine/4fmw) | Crystal structure of methyltransferase domain of human RNA (guanine-9-) methyltransferase domain containing protein 2 | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, RNA (guanine-9-)-methyltransferase domain-containing protein 2, ... | Authors: | Dong, A, Zeng, H, Loppnau, P, Tempel, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-18 | Release date: | 2012-08-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of methyltransferase domain of human RNA (guanine-9-) methyltransferase domain containing protein 2 TO BE PUBLISHED
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1CSO
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![BU of 1cso by Molmil](/molmil-images/mine/1cso) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-ILE18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
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1CT0
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![BU of 1ct0 by Molmil](/molmil-images/mine/1ct0) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
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1CH0
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![BU of 1ch0 by Molmil](/molmil-images/mine/1ch0) | RNASE T1 VARIANT WITH ALTERED GUANINE BINDING SEGMENT | Descriptor: | CALCIUM ION, CHLORIDE ION, GUANOSINE-2'-MONOPHOSPHATE, ... | Authors: | Hoeschler, K, Hoier, H, Orth, P, Hubner, B, Saenger, W, Hahn, U. | Deposit date: | 1999-03-30 | Release date: | 1999-12-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of an RNase T1 variant with an altered guanine binding segment. J.Mol.Biol., 294, 1999
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1CKR
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![BU of 1ckr by Molmil](/molmil-images/mine/1ckr) | HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES | Descriptor: | HEAT SHOCK SUBSTRATE BINDING DOMAIN OF HSC-70 | Authors: | Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P. | Deposit date: | 1999-04-22 | Release date: | 1999-04-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70. J.Mol.Biol., 289, 1999
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4GTQ
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![BU of 4gtq by Molmil](/molmil-images/mine/4gtq) | FTase in complex with BMS analogue 12 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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8CE7
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![BU of 8ce7 by Molmil](/molmil-images/mine/8ce7) | Type1 alpha-synuclein filament assembled in vitro by wild-type and mutant (7 residues insertion) protein | Descriptor: | Alpha-synuclein | Authors: | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | Deposit date: | 2023-02-01 | Release date: | 2023-03-01 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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4GWB
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![BU of 4gwb by Molmil](/molmil-images/mine/4gwb) | Crystal structure of putative Peptide methionine sulfoxide reductase from Sinorhizobium meliloti 1021 | Descriptor: | CALCIUM ION, CHLORIDE ION, Peptide methionine sulfoxide reductase MsrA 3 | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-09-01 | Release date: | 2012-09-19 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of putative Peptide methionine sulfoxide reductase from Sinorhizobium meliloti 1021 To be Published
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8CEB
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![BU of 8ceb by Molmil](/molmil-images/mine/8ceb) | Type2 alpha-synuclein filament assembled in vitro by wild-type and mutant (7 residues insertion) protein | Descriptor: | Alpha-synuclein | Authors: | Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Sew, P.C, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M. | Deposit date: | 2023-02-01 | Release date: | 2023-03-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy. Acta Neuropathol, 145, 2023
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1D7E
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![BU of 1d7e by Molmil](/molmil-images/mine/1d7e) | CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN | Authors: | Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | Deposit date: | 1999-10-17 | Release date: | 2000-03-31 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility. Protein Sci., 9, 2000
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1CHO
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![BU of 1cho by Molmil](/molmil-images/mine/1cho) | CRYSTAL AND MOLECULAR STRUCTURES OF THE COMPLEX OF ALPHA-*CHYMOTRYPSIN WITH ITS INHIBITOR TURKEY OVOMUCOID THIRD DOMAIN AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | ALPHA-CHYMOTRYPSIN A, TURKEY OVOMUCOID THIRD DOMAIN (OMTKY3) | Authors: | Fujinaga, M, Sielecki, A.R, Read, R.J, Ardelt, W, Laskowskijunior, M, James, M.N.G. | Deposit date: | 1988-03-04 | Release date: | 1988-07-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal and molecular structures of the complex of alpha-chymotrypsin with its inhibitor turkey ovomucoid third domain at 1.8 A resolution. J.Mol.Biol., 195, 1987
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