4M9F
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![BU of 4m9f by Molmil](/molmil-images/mine/4m9f) | Dengue virus NS2B-NS3 protease A125C variant at pH 8.5 | Descriptor: | NS2B-NS3 protease | Authors: | Yildiz, M, Ghosh, S, Bell, J.A, Sherman, W, Hardy, J.A. | Deposit date: | 2013-08-14 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus. Acs Chem.Biol., 8, 2013
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1Z3L
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![BU of 1z3l by Molmil](/molmil-images/mine/1z3l) | X-Ray Crystal Structure of a Mutant Ribonuclease S (F8Anb) | Descriptor: | Ribonuclease pancreatic, S-Peptide, S-Protein, ... | Authors: | Das, M, Vasudeva Rao, B, Ghosh, S, Varadarajan, R. | Deposit date: | 2005-03-14 | Release date: | 2005-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Attempts to delineate the relative contributions of changes in hydrophobicity and packing to changes in stability of ribonuclease S mutants. Biochemistry, 44, 2005
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1Z3P
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![BU of 1z3p by Molmil](/molmil-images/mine/1z3p) | X-Ray crystal structure of a mutant Ribonuclease S (M13Nva) | Descriptor: | Ribonuclease pancreatic, S-Peptide, S-Protein, ... | Authors: | Das, M, Rao, B.V, Ghosh, S, Varadarajan, R. | Deposit date: | 2005-03-14 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Attempts to delineate the relative contributions of changes in hydrophobicity and packing to changes in stability of ribonuclease S mutants. Biochemistry, 44, 2005
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1Z3M
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![BU of 1z3m by Molmil](/molmil-images/mine/1z3m) | Crystal structure of mutant Ribonuclease S (F8Nva) | Descriptor: | Ribonuclease pancreatic, S-Peptide, S-protein, ... | Authors: | Das, M, Vasudeva Rao, B, Ghosh, S, Varadarajan, R. | Deposit date: | 2005-03-14 | Release date: | 2005-03-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Attempts to delineate the relative contributions of changes in hydrophobicity and packing to changes in stability of ribonuclease S mutants. Biochemistry, 44, 2005
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4YK0
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![BU of 4yk0 by Molmil](/molmil-images/mine/4yk0) | Crystal structure of the CBP bromodomain in complex with CPI098 | Descriptor: | (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | Authors: | Bellon, S.F, Jayaram, H. | Deposit date: | 2015-03-03 | Release date: | 2016-04-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition. J.Biol.Chem., 291, 2016
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5DBM
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![BU of 5dbm by Molmil](/molmil-images/mine/5dbm) | Crystal structure of the CBP bromodomain in complex with CPI703 | Descriptor: | (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | Deposit date: | 2015-08-21 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition. J.Biol.Chem., 291, 2016
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4MXK
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![BU of 4mxk by Molmil](/molmil-images/mine/4mxk) | X-ray structure of Fe(II)-ZnPIXFeBMb1 | Descriptor: | FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN | Authors: | Chakraborty, S, Lu, Y, Petrik, I. | Deposit date: | 2013-09-26 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase. Angew.Chem.Int.Ed.Engl., 53, 2014
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8CJY
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![BU of 8cjy by Molmil](/molmil-images/mine/8cjy) | [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S357T | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Brocks, C, Duan, J, Hofmann, E, Happe, T. | Deposit date: | 2023-02-13 | Release date: | 2023-10-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases. Chemsuschem, 17, 2024
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3ZNR
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![BU of 3znr by Molmil](/molmil-images/mine/3znr) | HDAC7 bound with inhibitor TMP269 | Descriptor: | HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | Authors: | Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m. | Deposit date: | 2013-02-15 | Release date: | 2013-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group Nat.Chem.Biol., 9, 2013
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7SKQ
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![BU of 7skq by Molmil](/molmil-images/mine/7skq) | BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor GRL-0617 | Descriptor: | 3C-like proteinase, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ZINC ION | Authors: | Freitas, B, Durie, I, Shepard, J, O'Boyle, B, Enos, S, Pegan, S.D. | Deposit date: | 2021-10-21 | Release date: | 2022-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses. Acs Infect Dis., 8, 2022
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7SKR
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![BU of 7skr by Molmil](/molmil-images/mine/7skr) | BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide, ... | Authors: | Durie, I, Shepard, J, Freitas, B, O'Boyle, B, Enos, S, Pegan, S.D. | Deposit date: | 2021-10-21 | Release date: | 2022-03-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses. Acs Infect Dis., 8, 2022
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1QOM
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![BU of 1qom by Molmil](/molmil-images/mine/1qom) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Crane, B.R, Rosenfeld, R.A, Arvai, A.S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D. | Deposit date: | 1999-11-15 | Release date: | 1999-12-15 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | N-Terminal Domain Swapping and Metal Ion Binding in Nitric Oxide Synthase Dimerization Embo J., 18, 1999
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5NCK
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![BU of 5nck by Molmil](/molmil-images/mine/5nck) | |
1VKX
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![BU of 1vkx by Molmil](/molmil-images/mine/1vkx) | CRYSTAL STRUCTURE OF THE NFKB P50/P65 HETERODIMER COMPLEXED TO THE IMMUNOGLOBULIN KB DNA | Descriptor: | DNA (5'-D(*AP*GP*GP*AP*AP*AP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*AP*CP*TP*TP*TP*CP*C)-3'), PROTEIN (NF-KAPPA B P50 SUBUNIT), ... | Authors: | Chen, F, Huang, D.B, Ghosh, G. | Deposit date: | 1997-09-17 | Release date: | 1998-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of p50/p65 heterodimer of transcription factor NF-kappaB bound to DNA. Nature, 391, 1998
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1DWX
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![BU of 1dwx by Molmil](/molmil-images/mine/1dwx) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1999-12-14 | Release date: | 2000-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins Biochemistry, 39, 2000
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1DWV
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![BU of 1dwv by Molmil](/molmil-images/mine/1dwv) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin | Descriptor: | 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1999-12-14 | Release date: | 2000-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins Biochemistry, 39, 2000
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1DWW
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![BU of 1dww by Molmil](/molmil-images/mine/1dww) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1999-12-14 | Release date: | 2000-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins Biochemistry, 39, 2000
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2M2C
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![BU of 2m2c by Molmil](/molmil-images/mine/2m2c) | Solution structure of Duplex DNA | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*CP*G)-3') | Authors: | Ghosh, A, Kar, R.K, Chatterjee, S, Bhunia, A. | Deposit date: | 2012-12-18 | Release date: | 2013-01-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Indolicidin targets duplex DNA: structural and mechanistic insight through a combination of spectroscopy and microscopy. Chemmedchem, 9, 2014
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6Y4C
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![BU of 6y4c by Molmil](/molmil-images/mine/6y4c) | Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support | Descriptor: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-20 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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6Y2N
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![BU of 6y2n by Molmil](/molmil-images/mine/6y2n) | Crystal structure of ribonucleotide reductase R2 subunit solved by serial synchrotron crystallography | Descriptor: | FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase subunit beta | Authors: | Shilova, A, Lebrette, H, Aurelius, O, Hogbom, M, Mueller, U. | Deposit date: | 2020-02-17 | Release date: | 2020-10-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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6Y78
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![BU of 6y78 by Molmil](/molmil-images/mine/6y78) | Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T. | Deposit date: | 2020-02-28 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Current status and future opportunities for serial crystallography at MAX IV Laboratory. J.Synchrotron Radiat., 27, 2020
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4MXL
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![BU of 4mxl by Molmil](/molmil-images/mine/4mxl) | X-ray structure of ZnPFeBMb1 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN | Authors: | Chakraborty, S, Lu, Y, Petrik, I. | Deposit date: | 2013-09-26 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase. Angew.Chem.Int.Ed.Engl., 53, 2014
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3ZNS
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![BU of 3zns by Molmil](/molmil-images/mine/3zns) | HDAC7 bound with TFMO inhibitor tmp942 | Descriptor: | HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ... | Authors: | Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A. | Deposit date: | 2013-02-15 | Release date: | 2013-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group Nat.Chem.Biol., 9, 2013
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7AZT
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![BU of 7azt by Molmil](/molmil-images/mine/7azt) | X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at room temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, RE11660p | Authors: | Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S, Pandey, S. | Deposit date: | 2020-11-17 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature. Acta Crystallogr D Struct Biol, 77, 2021
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7AYV
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![BU of 7ayv by Molmil](/molmil-images/mine/7ayv) | X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ... | Authors: | Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S. | Deposit date: | 2020-11-13 | Release date: | 2021-08-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature. Acta Crystallogr D Struct Biol, 77, 2021
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