8XCY
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8XCT
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8XD3
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8XCZ
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6PIP
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1F63
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![BU of 1f63 by Molmil](/molmil-images/mine/1f63) | CRYSTAL STRUCTURE OF DEOXY SPERM WHALE MYOGLOBIN MUTANT Y(B10)Q(E7)R(E10) | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Brunori, M, Cutruzzola, F, Savino, C, Travaglini-Allocatelli, C, Vallone, B, Gibson, Q.H. | Deposit date: | 2000-06-20 | Release date: | 2000-07-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural dynamics of ligand diffusion in the protein matrix: A study on a new myoglobin mutant Y(B10) Q(E7) R(E10). Biophys.J., 76, 1999
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5OR9
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![BU of 5or9 by Molmil](/molmil-images/mine/5or9) | Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13 | Descriptor: | (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Vedove, A.D, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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1BH5
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![BU of 1bh5 by Molmil](/molmil-images/mine/1bh5) | HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT | Descriptor: | LACTOYLGLUTATHIONE LYASE, S-HEXYLGLUTATHIONE, ZINC ION | Authors: | Cameron, A.D, Jones, T.A. | Deposit date: | 1998-06-13 | Release date: | 1998-11-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Involvement of an active-site Zn2+ ligand in the catalytic mechanism of human glyoxalase I. J.Biol.Chem., 273, 1998
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5ORB
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![BU of 5orb by Molmil](/molmil-images/mine/5orb) | Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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6PI3
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6QDI
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![BU of 6qdi by Molmil](/molmil-images/mine/6qdi) | anti-sigma factor domain-containing protein from Clostridium clariflavum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | Authors: | Voronov, M, Bayer, E.A, Livnah, O. | Deposit date: | 2019-01-01 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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4IQ2
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![BU of 4iq2 by Molmil](/molmil-images/mine/4iq2) | P21 crystal form of FKBP12.6 | Descriptor: | MALONIC ACID, Peptidyl-prolyl cis-trans isomerase FKBP1B | Authors: | Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G. | Deposit date: | 2013-01-10 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6. Acta Crystallogr.,Sect.D, 70, 2014
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7QRV
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![BU of 7qrv by Molmil](/molmil-images/mine/7qrv) | Crystal structure of NHL domain of TRIM2 (full C-terminal) | Descriptor: | 1,2-ETHANEDIOL, Tripartite motif-containing protein 2 | Authors: | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-01-12 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family. Iucrj, 9, 2022
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4RMI
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![BU of 4rmi by Molmil](/molmil-images/mine/4rmi) | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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3SI4
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![BU of 3si4 by Molmil](/molmil-images/mine/3si4) | Human Thrombin In Complex With UBTHR104 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-06-17 | Release date: | 2012-06-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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3SPS
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2ILM
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4RMJ
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![BU of 4rmj by Molmil](/molmil-images/mine/4rmj) | Human Sirt2 in complex with ADP ribose and nicotinamide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4RMH
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![BU of 4rmh by Molmil](/molmil-images/mine/4rmh) | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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5OR8
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![BU of 5or8 by Molmil](/molmil-images/mine/5or8) | Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide | Authors: | Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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5OP0
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5LKJ
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![BU of 5lkj by Molmil](/molmil-images/mine/5lkj) | Crystal structure of mouse CARM1 in complex with ligand SA684 | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-carbamimidamidoethyl)amino]-2-azanyl-butanoic acid, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-07-22 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Crystal structure of mouse CARM1 in complex with ligands To Be Published
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8OKX
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![BU of 8okx by Molmil](/molmil-images/mine/8okx) | Structure of cGAS in complex with SPSB3-ELOBC | Descriptor: | Cyclic GMP-AMP synthase, Elongin-B, Elongin-C, ... | Authors: | Xu, P.B, Ablasser, A. | Deposit date: | 2023-03-29 | Release date: | 2024-02-14 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation. Nature, 627, 2024
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5N75
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![BU of 5n75 by Molmil](/molmil-images/mine/5n75) | 14-3-3 sigma in complex with TAZ pS89 peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-19 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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8OL1
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