7AOU
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![BU of 7aou by Molmil](/molmil-images/mine/7aou) | The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone | Descriptor: | (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | Deposit date: | 2020-10-15 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021
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6VBX
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![BU of 6vbx by Molmil](/molmil-images/mine/6vbx) | Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide | Authors: | Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z. | Deposit date: | 2019-12-19 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1. J.Med.Chem., 64, 2021
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7C7V
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![BU of 7c7v by Molmil](/molmil-images/mine/7c7v) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
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7C7W
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![BU of 7c7w by Molmil](/molmil-images/mine/7c7w) | Vitamin D3 receptor/lithochoric acid derivative complex | Descriptor: | (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Masuno, H, Numoto, N, Kagechika, H, Ito, N. | Deposit date: | 2020-05-26 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists. J.Med.Chem., 64, 2021
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1GH8
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![BU of 1gh8 by Molmil](/molmil-images/mine/1gh8) | |
1EJE
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![BU of 1eje by Molmil](/molmil-images/mine/1eje) | CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ... | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-03-02 | Release date: | 2000-10-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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1GH9
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![BU of 1gh9 by Molmil](/molmil-images/mine/1gh9) | |
1EIJ
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![BU of 1eij by Molmil](/molmil-images/mine/1eij) | NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615 | Descriptor: | HYPOTHETICAL PROTEIN MTH1615 | Authors: | Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-02-25 | Release date: | 2000-11-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
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1EP0
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![BU of 1ep0 by Molmil](/molmil-images/mine/1ep0) | HIGH RESOLUTION CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-03-24 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP. J.Biol.Chem., 275, 2000
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1EPZ
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![BU of 1epz by Molmil](/molmil-images/mine/1epz) | CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND. | Descriptor: | DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE | Authors: | Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M. | Deposit date: | 2000-03-30 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP. J.Biol.Chem., 275, 2000
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2EQA
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![BU of 2eqa by Molmil](/molmil-images/mine/2eqa) | Crystal Structure of the hypothetical Sua5 protein from Sulfolobus tokodaii | Descriptor: | ADENOSINE MONOPHOSPHATE, Hypothetical protein ST1526, MAGNESIUM ION | Authors: | Agari, Y, Shinkai, A, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-30 | Release date: | 2008-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of a hypothetical Sua5 protein from Sulfolobus tokodaii strain 7 Proteins, 70, 2008
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6DGF
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![BU of 6dgf by Molmil](/molmil-images/mine/6dgf) | Ubiquitin Variant bound to USP2 | Descriptor: | Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ... | Authors: | Manczyk, N, Sicheri, F. | Deposit date: | 2018-05-17 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases. J. Mol. Biol., 431, 2019
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8D0Z
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![BU of 8d0z by Molmil](/molmil-images/mine/8d0z) | S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2022-05-26 | Release date: | 2023-03-22 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants. J.Clin.Invest., 133, 2023
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4PGO
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![BU of 4pgo by Molmil](/molmil-images/mine/4pgo) | Crystal structure of hypothetical protein PF0907 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data | Descriptor: | CHLORIDE ION, Uncharacterized protein | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2014-05-02 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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4PII
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![BU of 4pii by Molmil](/molmil-images/mine/4pii) | Crystal structure of hypothetical protein PF0907 from pyrococcus furiosus solved by sulfur SAD using Swiss light source data | Descriptor: | CHLORIDE ION, IMIDAZOLE, N-glycosylase/DNA lyase | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2014-05-08 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
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5TTZ
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![BU of 5ttz by Molmil](/molmil-images/mine/5ttz) | |
2GS9
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![BU of 2gs9 by Molmil](/molmil-images/mine/2gs9) | Crystal structure of TT1324 from Thermus thermophilis HB8 | Descriptor: | FORMIC ACID, Hypothetical protein TT1324, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Kamitori, S, Abe, A, Ebihara, A, Kanagawa, M, Nakagawa, N, Kuroishi, C, Agari, Y, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-25 | Release date: | 2007-03-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of TT1324 from Thermus thermophilis HB8 To be Published
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2FH0
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![BU of 2fh0 by Molmil](/molmil-images/mine/2fh0) | |
6SYI
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![BU of 6syi by Molmil](/molmil-images/mine/6syi) | |
6HP0
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![BU of 6hp0 by Molmil](/molmil-images/mine/6hp0) | Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative | Descriptor: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pachl, P, Pokorna, J. | Deposit date: | 2018-09-19 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1. Bioorg.Med.Chem., 27, 2019
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6K4H
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![BU of 6k4h by Molmil](/molmil-images/mine/6k4h) | Crystal structure of the PI5P4Kbeta-AMPPNP complex | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Senda, M, Senda, T. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 2022
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6K4G
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![BU of 6k4g by Molmil](/molmil-images/mine/6k4g) | Crystal structure of the PI5P4Kbeta-GMPPNP complex | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Senda, M, Senda, T. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The GTP responsiveness of PI5P4K beta evolved from a compromised trade-off between activity and specificity. Structure, 2022
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6UK2
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![BU of 6uk2 by Molmil](/molmil-images/mine/6uk2) | |
6UJO
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![BU of 6ujo by Molmil](/molmil-images/mine/6ujo) | |
6UK4
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![BU of 6uk4 by Molmil](/molmil-images/mine/6uk4) | |