7QUW
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![BU of 7quw by Molmil](/molmil-images/mine/7quw) | CVB3-3Cpro in complex with inhibitor MG-78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C | 著者 | Zhang, L, Hilgenfeld, R. | 登録日 | 2022-01-19 | 公開日 | 2022-03-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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7QUB
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![BU of 7qub by Molmil](/molmil-images/mine/7qub) | EV-A71-3Cpro in complex with inhibitor MG78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | 著者 | El Kilani, H, Hilgenfeld, R. | 登録日 | 2022-01-17 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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7QL8
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![BU of 7ql8 by Molmil](/molmil-images/mine/7ql8) | SARS-COV2 Main Protease in complex with inhibitor MG78 | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | 著者 | El Kilani, H, Hilgenfeld, R. | 登録日 | 2021-12-19 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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1CAY
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![BU of 1cay by Molmil](/molmil-images/mine/1cay) | WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE | 分子名称: | ACETIC ACID, CARBONIC ANHYDRASE II, ZINC ION | 著者 | Hakansson, K, Briand, C, Zaitsev, V, Xue, Y, Liljas, A. | 登録日 | 1993-02-26 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Wild-type and E106Q mutant carbonic anhydrase complexed with acetate. Acta Crystallogr.,Sect.D, 50, 1994
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1CAZ
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![BU of 1caz by Molmil](/molmil-images/mine/1caz) | WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE | 分子名称: | ACETIC ACID, CARBONIC ANHYDRASE II, ZINC ION | 著者 | Hakansson, K, Briand, C, Zaitsev, V, Xue, Y, Liljas, A. | 登録日 | 1993-02-26 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Wild-type and E106Q mutant carbonic anhydrase complexed with acetate. Acta Crystallogr.,Sect.D, 50, 1994
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8DSX
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8DSB
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![BU of 8dsb by Molmil](/molmil-images/mine/8dsb) | Lambda Bacteriophage Orf63 | 分子名称: | Xis (Excision72) | 著者 | Donaldson, L.W. | 登録日 | 2022-07-22 | 公開日 | 2023-07-26 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Bad Phages in Good Bacteria: Role of the Mysterious orf63 of lambda and Shiga Toxin-Converting Phi 24 B Bacteriophages. Front Microbiol, 8, 2017
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1CT4
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![BU of 1ct4 by Molmil](/molmil-images/mine/1ct4) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB | 分子名称: | OVOMUCOID INHIBITOR, PROTEINASE B | 著者 | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | 登録日 | 1999-08-18 | 公開日 | 2000-01-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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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6GFG
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![BU of 6gfg by Molmil](/molmil-images/mine/6gfg) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Inositol-pentakisphosphate 2-kinase, ... | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | 登録日 | 2018-04-30 | 公開日 | 2018-09-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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6FL3
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![BU of 6fl3 by Molmil](/molmil-images/mine/6fl3) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP5 and ADP | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | 登録日 | 2018-01-25 | 公開日 | 2018-09-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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6FJK
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![BU of 6fjk by Molmil](/molmil-images/mine/6fjk) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | 登録日 | 2018-01-22 | 公開日 | 2018-09-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.025 Å) | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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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 | 分子名称: | OVOMUCOID INHIBITOR, PROTEINASE B | 著者 | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | 登録日 | 1999-08-18 | 公開日 | 2000-01-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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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1CT2
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![BU of 1ct2 by Molmil](/molmil-images/mine/1ct2) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | 分子名称: | OVOMUCOID INHIBITOR, PROTEINASE B | 著者 | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | 登録日 | 1999-08-18 | 公開日 | 2000-01-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | 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 | 分子名称: | OVOMUCOID INHIBITOR, PROTEINASE B | 著者 | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | 登録日 | 1999-08-18 | 公開日 | 2000-01-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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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7R7Z
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![BU of 7r7z by Molmil](/molmil-images/mine/7r7z) | Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3 | 分子名称: | Alpha chain of C3 TCR, Beta chain of C3 TCR, HEXAETHYLENE GLYCOL, ... | 著者 | Li, X.L, Tan, K.M, Xu, S.T, Ng, R, Walker, B.D, Wang, J.H. | 登録日 | 2021-06-25 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.286 Å) | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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7R80
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![BU of 7r80 by Molmil](/molmil-images/mine/7r80) | Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301 | 分子名称: | Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ... | 著者 | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | 登録日 | 2021-06-25 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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8EW5
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![BU of 8ew5 by Molmil](/molmil-images/mine/8ew5) | The structure of flightin within myosin thick filaments from Bombus ignitus flight muscle | 分子名称: | Flightin | 著者 | Li, J, Rahmani, H, Abbasi Yeganeh, F, Rastegarpouyani, H, Taylor, D.W, Wood, N.B, Previs, M.J, Iwamoto, H, Taylor, K.A. | 登録日 | 2022-10-21 | 公開日 | 2023-01-04 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | Structure of the Flight Muscle Thick Filament from the Bumble Bee, Bombus ignitus , at 6 angstrom Resolution. Int J Mol Sci, 24, 2022
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6GFH
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![BU of 6gfh by Molmil](/molmil-images/mine/6gfh) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with neo-IP5 and ATP | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | 登録日 | 2018-04-30 | 公開日 | 2018-09-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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6LY8
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![BU of 6ly8 by Molmil](/molmil-images/mine/6ly8) | V/A-ATPase from Thermus thermophilus, the soluble domain, including V1, d, two EG stalks, and N-terminal domain of a-subunit. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | 著者 | Kishikawa, J, Nakanishi, A, Furuta, A, Kato, T, Namba, K, Tamakoshi, M, Mitsuoka, K, Yokoyama, K. | 登録日 | 2020-02-13 | 公開日 | 2020-09-09 | 最終更新日 | 2020-09-30 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Mechanical inhibition of isolated V o from V/A-ATPase for proton conductance. Elife, 9, 2020
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6AXR
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![BU of 6axr by Molmil](/molmil-images/mine/6axr) | |
6B82
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7YAS
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![BU of 7yas by Molmil](/molmil-images/mine/7yas) | HYDROXYNITRILE LYASE, LOW TEMPERATURE NATIVE STRUCTURE | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, PROTEIN (HYDROXYNITRILE LYASE), ... | 著者 | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | 登録日 | 1999-03-15 | 公開日 | 1999-10-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis. Protein Sci., 8, 1999
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5NHT
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![BU of 5nht by Molmil](/molmil-images/mine/5nht) | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | 分子名称: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | 著者 | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | 登録日 | 2017-03-22 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 To Be Published
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6BNX
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![BU of 6bnx by Molmil](/molmil-images/mine/6bnx) | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P6(3) | 分子名称: | COBALT (II) ION, Lactoylglutathione lyase | 著者 | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | 登録日 | 2017-11-17 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays. Febs J., 286, 2019
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3HKP
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![BU of 3hkp by Molmil](/molmil-images/mine/3hkp) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,4-DIHYDROXYBENZOIC ACID, Catechol 1,2-dioxygenase, ... | 著者 | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | 登録日 | 2009-05-25 | 公開日 | 2010-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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