7XMK
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![BU of 7xmk by Molmil](/molmil-images/mine/7xmk) | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | Descriptor: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Yang, S. | Deposit date: | 2022-04-26 | Release date: | 2023-04-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.376 Å) | Cite: | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases. J.Med.Chem., 67, 2024
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7VTY
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![BU of 7vty by Molmil](/molmil-images/mine/7vty) | de novo designed protein | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-31 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7VQV
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![BU of 7vqv by Molmil](/molmil-images/mine/7vqv) | de novo design based on 1r26 | Descriptor: | GLYCEROL, de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-20 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7VU4
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![BU of 7vu4 by Molmil](/molmil-images/mine/7vu4) | de novo design based on 1r26 | Descriptor: | de novo design protein | Authors: | Zhang, L. | Deposit date: | 2021-11-01 | Release date: | 2022-06-08 | Last modified: | 2023-06-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7VQL
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![BU of 7vql by Molmil](/molmil-images/mine/7vql) | de novo designed based on 1r26 | Descriptor: | AMMONIUM ION, GLYCEROL, de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-20 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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7VQW
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![BU of 7vqw by Molmil](/molmil-images/mine/7vqw) | de novo designed protein based on 1r26 | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2021-10-20 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Rotamer-free protein sequence design based on deep learning and self-consistency. Nat Comput Sci, 2023
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1EZ0
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![BU of 1ez0 by Molmil](/molmil-images/mine/1ez0) | CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI. | Descriptor: | ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A. | Deposit date: | 2000-05-09 | Release date: | 2000-05-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity. Biochem.J., 349, 2000
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4PV5
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![BU of 4pv5 by Molmil](/molmil-images/mine/4pv5) | Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid | Descriptor: | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Lactoylglutathione lyase, ZINC ION | Authors: | Zhang, H, Zhai, J, Zhang, L.P, Zhao, Y.N, Li, C, Hu, X.P. | Deposit date: | 2014-03-15 | Release date: | 2015-03-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor Acta Pharmacol.Sin., 36, 2015
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7D0C
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![BU of 7d0c by Molmil](/molmil-images/mine/7d0c) | S protein of SARS-CoV-2 in complex bound with P5A-3A1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3A1, ... | Authors: | Yan, R.H, Wang, R.K, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | Deposit date: | 2020-09-09 | Release date: | 2021-03-10 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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7D0B
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![BU of 7d0b by Molmil](/molmil-images/mine/7d0b) | S protein of SARS-CoV-2 in complex bound with P5A-3C12_1B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ... | Authors: | Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | Deposit date: | 2020-09-09 | Release date: | 2021-03-10 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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7D0D
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![BU of 7d0d by Molmil](/molmil-images/mine/7d0d) | S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of P5A-3C12, ... | Authors: | Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | Deposit date: | 2020-09-09 | Release date: | 2021-03-10 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies. Cell Res., 31, 2021
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6RK2
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![BU of 6rk2 by Molmil](/molmil-images/mine/6rk2) | Complex structure of virulence factor SghA mutant with its substrate SAG | Descriptor: | 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | Deposit date: | 2019-04-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals. Proc.Natl.Acad.Sci.USA, 116, 2019
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4GWG
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![BU of 4gwg by Molmil](/molmil-images/mine/4gwg) | |
5ILA
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![BU of 5ila by Molmil](/molmil-images/mine/5ila) | Deg9 protease domain | Descriptor: | Protease Do-like 9 | Authors: | Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X. | Deposit date: | 2016-03-04 | Release date: | 2017-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | The crystal structure of Deg9 reveals a novel octameric-type HtrA protease Nat Plants, 3, 2017
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8CEA
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![BU of 8cea by Molmil](/molmil-images/mine/8cea) | Cytochrome c maturation complex CcmABCD, E154Q | Descriptor: | Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ... | Authors: | Ilcu, L, Zhang, L, Einsle, O. | Deposit date: | 2023-02-01 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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8CE1
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![BU of 8ce1 by Molmil](/molmil-images/mine/8ce1) | Cytochrome c maturation complex CcmABCD | Descriptor: | Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ... | Authors: | Ilcu, L, Zhang, L, Einsle, O. | Deposit date: | 2023-02-01 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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8CE5
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![BU of 8ce5 by Molmil](/molmil-images/mine/8ce5) | Cytochrome c maturation complex CcmABCD, E154Q, ATP-bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | Authors: | Ilcu, L, Zhang, L, Einsle, O. | Deposit date: | 2023-02-01 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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8CE8
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![BU of 8ce8 by Molmil](/molmil-images/mine/8ce8) | Cytochrome c maturation complex CcmABCDE | Descriptor: | Cytochrome c biogenesis ATP-binding export protein CcmA, Cytochrome c-type biogenesis protein CcmE, Heme exporter protein B, ... | Authors: | Ilcu, L, Zhang, L, Einsle, O. | Deposit date: | 2023-02-01 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
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2RJG
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![BU of 2rjg by Molmil](/molmil-images/mine/2rjg) | Crystal structure of biosynthetic alaine racemase from Escherichia coli | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-10-15 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
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2RJH
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![BU of 2rjh by Molmil](/molmil-images/mine/2rjh) | Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli | Descriptor: | Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | Deposit date: | 2007-10-15 | Release date: | 2008-07-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
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7NCC
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![BU of 7ncc by Molmil](/molmil-images/mine/7ncc) | Crystal structure of fructose-bisphosphate aldolase FBAP from Bacillus methanolicus | Descriptor: | D-MALATE, IMIDAZOLE, PHOSPHATE ION, ... | Authors: | Einsle, O, Zhang, L, Guetle, D, Jacquot, J.P. | Deposit date: | 2021-01-28 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Interrogating the Role of the Two Distinct Fructose-Bisphosphate Aldolases of Bacillus methanolicus by Site-Directed Mutagenesis of Key Amino Acids and Gene Repression by CRISPR Interference Front Microbiol, 12, 2021
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3VPN
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![BU of 3vpn by Molmil](/molmil-images/mine/3vpn) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Essential role of E106 in the proton-coupled electron transfer in human to be published
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3VPM
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![BU of 3vpm by Molmil](/molmil-images/mine/3vpm) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit To be Published
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3VPO
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![BU of 3vpo by Molmil](/molmil-images/mine/3vpo) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Essential role of E106 in the proton-coupled electron transfer in human to be published
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