7L3K
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![BU of 7l3k by Molmil](/molmil-images/mine/7l3k) | T4 Lysozyme L99A - benzylacetate - cryo | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3C
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![BU of 7l3c by Molmil](/molmil-images/mine/7l3c) | T4 Lysozyme L99A - o-xylene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3D
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![BU of 7l3d by Molmil](/molmil-images/mine/7l3d) | T4 Lysozyme L99A - 3-iodotoluene - RT | Descriptor: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3I
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![BU of 7l3i by Molmil](/molmil-images/mine/7l3i) | T4 Lysozyme L99A - propylbenzene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endolysin, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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3QZZ
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![BU of 3qzz by Molmil](/molmil-images/mine/3qzz) | 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin Y61W mutant in Aquomet form | Descriptor: | Methanosarcina acetivorans protoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M. | Deposit date: | 2011-03-07 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants. Iubmb Life, 63, 2011
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3HKR
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![BU of 3hkr by Molmil](/molmil-images/mine/3hkr) | Crystal Structure of Glutathione Transferase Pi Y108V Mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ... | Authors: | Parker, L.J. | Deposit date: | 2009-05-25 | Release date: | 2009-09-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Influence of the H-site residue 108 on human glutathione transferase P1-1 ligand binding: structure-thermodynamic relationships and thermal stability. Protein Sci., 18, 2009
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3HLP
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![BU of 3hlp by Molmil](/molmil-images/mine/3hlp) | |
3CHC
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![BU of 3chc by Molmil](/molmil-images/mine/3chc) | |
2CPI
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![BU of 2cpi by Molmil](/molmil-images/mine/2cpi) | Solution structure of the RNA recognition motif of CNOT4 | Descriptor: | CCR4-NOT transcription complex subunit 4 | Authors: | Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-19 | Release date: | 2005-11-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the RNA recognition motif of CNOT4 To be Published
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7JT4
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![BU of 7jt4 by Molmil](/molmil-images/mine/7jt4) | Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan | Descriptor: | Nucleosome-remodeling factor subunit BPTF | Authors: | Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2020-08-17 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor Org.Biomol.Chem., 17, 2019
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3PCA
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![BU of 3pca by Molmil](/molmil-images/mine/3pca) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3,4-DIHYDROXYBENZOATE | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCM
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![BU of 3pcm by Molmil](/molmil-images/mine/3pcm) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 6-HYDROXYNICOTINIC ACID N-OXIDE AND CYANIDE | Descriptor: | 6-HYDROXYISONICOTINIC ACID N-OXIDE, CYANIDE ION, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCK
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![BU of 3pck by Molmil](/molmil-images/mine/3pck) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 6-HYDROXYNICOTINIC ACID N-OXIDE | Descriptor: | 6-HYDROXYISONICOTINIC ACID N-OXIDE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCJ
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![BU of 3pcj by Molmil](/molmil-images/mine/3pcj) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE | Descriptor: | 2-HYDROXYISONICOTINIC ACID N-OXIDE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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3PCL
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![BU of 3pcl by Molmil](/molmil-images/mine/3pcl) | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE AND CYANIDE | Descriptor: | 2-HYDROXYISONICOTINIC ACID N-OXIDE, CYANIDE ION, FE (III) ION, ... | Authors: | Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-07-18 | Release date: | 1998-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of substrate and substrate analog complexes of protocatechuate 3,4-dioxygenase: endogenous Fe3+ ligand displacement in response to substrate binding. Biochemistry, 36, 1997
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2CUC
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![BU of 2cuc by Molmil](/molmil-images/mine/2cuc) | Solution structure of the SH3 domain of the mouse hypothetical protein SH3RF2 | Descriptor: | SH3 domain containing ring finger 2 | Authors: | Ohnishi, S, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-26 | Release date: | 2005-11-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the SH3 domain of the mouse hypothetical protein SH3RF2 To be Published
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6NZR
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5UX6
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![BU of 5ux6 by Molmil](/molmil-images/mine/5ux6) | Structure of Human POFUT1 in its apo form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GLYCEROL | Authors: | Xu, X, McMillan, B, Blacklow, S.C. | Deposit date: | 2017-02-22 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of human POFUT1, its requirement in ligand-independent oncogenic Notch signaling, and functional effects of Dowling-Degos mutations. Glycobiology, 27, 2017
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6NZQ
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6NZP
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![BU of 6nzp by Molmil](/molmil-images/mine/6nzp) | |
5V56
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![BU of 5v56 by Molmil](/molmil-images/mine/5v56) | 2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ... | Authors: | Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F. | Deposit date: | 2017-03-13 | Release date: | 2017-05-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand. Nat Commun, 8, 2017
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1I5T
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![BU of 1i5t by Molmil](/molmil-images/mine/1i5t) | SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C | Descriptor: | CYANIDE ION, CYTOCHROME C, HEME C | Authors: | Yao, Y, Qian, C, Ye, K, Wang, J, Tang, W. | Deposit date: | 2001-02-28 | Release date: | 2001-03-21 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of cyanoferricytochrome c: ligand-controlled conformational flexibility and electronic structure of the heme moiety. J.Biol.Inorg.Chem., 7, 2002
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5JXH
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![BU of 5jxh by Molmil](/molmil-images/mine/5jxh) | Structure the proprotein convertase furin in complex with meta-guanidinomethyl-Phac-RVR-Amba at 2.0 Angstrom resolution. | Descriptor: | 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ... | Authors: | Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E. | Deposit date: | 2016-05-13 | Release date: | 2016-10-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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3R0G
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![BU of 3r0g by Molmil](/molmil-images/mine/3r0g) | 3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F mutant in Aquomet form | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M. | Deposit date: | 2011-03-08 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants. Iubmb Life, 63, 2011
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4CJO
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![BU of 4cjo by Molmil](/molmil-images/mine/4cjo) | Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced at 180K using X-rays | Descriptor: | CYTOCHROME C', HEME C | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-12-21 | Release date: | 2014-05-21 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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