3SMD
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3T8L
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![BU of 3t8l by Molmil](/molmil-images/mine/3t8l) | Crystal Structure of adenine deaminase with Mn/Fe | 分子名称: | Adenine deaminase 2, UNKNOWN ATOM OR ION | 著者 | Bagaria, A, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2011-08-01 | 公開日 | 2011-11-02 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The catalase activity of diiron adenine deaminase. Protein Sci., 20, 2011
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7MHP
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![BU of 7mhp by Molmil](/molmil-images/mine/7mhp) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity | 分子名称: | 3C-like proteinase, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.0005 Å) | 主引用文献 | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MRR
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![BU of 7mrr by Molmil](/molmil-images/mine/7mrr) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | 著者 | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | 登録日 | 2021-05-08 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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1I1E
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![BU of 1i1e by Molmil](/molmil-images/mine/1i1e) | CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH DOXORUBICIN | 分子名称: | BOTULINUM NEUROTOXIN TYPE B, DOXORUBICIN, SULFATE ION, ... | 著者 | Eswaramoorthy, S, Kumaran, D, Swaminathan, S. | 登録日 | 2001-02-01 | 公開日 | 2001-11-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystallographic evidence for doxorubicin binding to the receptor-binding site in Clostridium botulinum neurotoxin B. Acta Crystallogr.,Sect.D, 57, 2001
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4NRU
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![BU of 4nru by Molmil](/molmil-images/mine/4nru) | Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative | 分子名称: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase | 著者 | Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M. | 登録日 | 2013-11-27 | 公開日 | 2014-10-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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7MHN
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![BU of 7mhn by Molmil](/molmil-images/mine/7mhn) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1908 Å) | 主引用文献 | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MHK
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![BU of 7mhk by Molmil](/molmil-images/mine/7mhk) | Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9601 Å) | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHJ
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![BU of 7mhj by Molmil](/molmil-images/mine/7mhj) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity | 分子名称: | 3C-like proteinase, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.0005 Å) | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MNG
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![BU of 7mng by Molmil](/molmil-images/mine/7mng) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | 分子名称: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | 登録日 | 2021-04-30 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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3VTY
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![BU of 3vty by Molmil](/molmil-images/mine/3vty) | Crystal structure of MamA | 分子名称: | CHLORIDE ION, MamA | 著者 | Zeytuni, N, Baran, D, Davidov, G, Zarivach, R. | 登録日 | 2012-06-08 | 公開日 | 2012-10-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inter-phylum structural conservation of the magnetosome-associated TPR-containing protein, MamA J.Struct.Biol., 180, 2012
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7MHO
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![BU of 7mho by Molmil](/molmil-images/mine/7mho) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MHI
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![BU of 7mhi by Molmil](/molmil-images/mine/7mhi) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHQ
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![BU of 7mhq by Molmil](/molmil-images/mine/7mhq) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 310 K | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9601 Å) | 主引用文献 | The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ) Iucrj, 9, 2022
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7MHH
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![BU of 7mhh by Molmil](/molmil-images/mine/7mhh) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | 登録日 | 2021-04-15 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1908 Å) | 主引用文献 | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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4MLD
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![BU of 4mld by Molmil](/molmil-images/mine/4mld) | X-ray structure of ComE D58E REC domain from Streptococcus pneumoniae | 分子名称: | Response regulator | 著者 | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | 登録日 | 2013-09-06 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae. Nucleic Acids Res., 42, 2014
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3VTX
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![BU of 3vtx by Molmil](/molmil-images/mine/3vtx) | Crystal structure of MamA protein | 分子名称: | GLYCEROL, MamA | 著者 | Zeytuni, N, Baran, D, Davidov, G, Zarivach, R. | 登録日 | 2012-06-08 | 公開日 | 2012-10-31 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Inter-phylum structural conservation of the magnetosome-associated TPR-containing protein, MamA J.Struct.Biol., 180, 2012
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3U4F
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![BU of 3u4f by Molmil](/molmil-images/mine/3u4f) | Crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from Roseovarius nubinhibens | 分子名称: | GUANIDINE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein | 著者 | Eswaramoorthy, S, Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2011-10-07 | 公開日 | 2011-10-19 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from Roseovarius nubinhibens To be Published, 2011
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4HV0
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![BU of 4hv0 by Molmil](/molmil-images/mine/4hv0) | Structure and Function of AvtR, a Novel Transcriptional Regulator from a Hyperthermophilic Archaeal Lipothrixvirus | 分子名称: | AvtR | 著者 | Peixeiro, N, Keller, J, Collinet, B, Leulliot, N, Campanacci, V, Cortez, D, Cambillau, C, Nitta, K.R, Vincentelli, R, Forterre, P, Prangishvili, D, Sezonov, G, van Tilbeurgh, H. | 登録日 | 2012-11-05 | 公開日 | 2012-11-21 | 最終更新日 | 2012-12-26 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure and Function of AvtR, a Novel Transcriptional Regulator from a Hyperthermophilic Archaeal Lipothrixvirus. J.Virol., 87, 2013
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4MSL
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![BU of 4msl by Molmil](/molmil-images/mine/4msl) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | 分子名称: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | 著者 | Andersen, J.L, Strandbygaard, D, Thirup, S. | 登録日 | 2013-09-18 | 公開日 | 2014-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex. Acta Crystallogr.,Sect.D, 70, 2014
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4PDW
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![BU of 4pdw by Molmil](/molmil-images/mine/4pdw) | A benzonitrile analogue inhibits rhinovirus replication | 分子名称: | 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile, Capsid protein VP4/VP2, GLYCEROL, ... | 著者 | Querol-Audi, J, Guerra, P, Lacroix, C, Roche, M, Franco, D, Froeyen, M, Terme, T, Vanelle, P, Neyts, J, Leyssen, P, Verdaguer, N. | 登録日 | 2014-04-22 | 公開日 | 2014-07-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A novel benzonitrile analogue inhibits rhinovirus replication. J.Antimicrob.Chemother., 69, 2014
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7JYC
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![BU of 7jyc by Molmil](/molmil-images/mine/7jyc) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | 分子名称: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | 著者 | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | 登録日 | 2020-08-30 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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4N7E
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![BU of 4n7e by Molmil](/molmil-images/mine/4n7e) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF38469 | 分子名称: | 2-[(6-methylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | 著者 | Andersen, J.L, Strandbygaard, D, Thirup, S. | 登録日 | 2013-10-15 | 公開日 | 2014-01-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin. Bioorg.Med.Chem.Lett., 24, 2014
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7JNY
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![BU of 7jny by Molmil](/molmil-images/mine/7jny) | Crystal structure of CXCL13 | 分子名称: | C-X-C motif chemokine 13 | 著者 | Rosenberg Jr, E.M, Rajasekaran, D, Murphy, J.W, Pantouris, G, Lolis, E.J. | 登録日 | 2020-08-05 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity. Acta Crystallogr D Struct Biol, 76, 2020
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7K3T
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![BU of 7k3t by Molmil](/molmil-images/mine/7k3t) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | 著者 | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | 登録日 | 2020-09-13 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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