2NMZ
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![BU of 2nmz by Molmil](/molmil-images/mine/2nmz) | Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE, SULFATE ION | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-23 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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5RC7
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![BU of 5rc7 by Molmil](/molmil-images/mine/5rc7) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F11a | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RDP
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![BU of 5rdp by Molmil](/molmil-images/mine/5rdp) | PanDDA analysis group deposition -- Endothiapepsin ground state model 41 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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3DW4
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![BU of 3dw4 by Molmil](/molmil-images/mine/3dw4) | Crystal Structure of the Sarcin/Ricin Domain from E. COLI 23 S rRNA, U2650-OCH3 modified | Descriptor: | GLYCEROL, Sarcin/Ricin Domain from E. Coli 23 S rRNA | Authors: | Olieric, V, Rieder, U, Lang, K, Serganov, A, Schulze-Briese, C, Micura, R, Dumas, P, Ennifar, E. | Deposit date: | 2008-07-21 | Release date: | 2009-03-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | A fast selenium derivatization strategy for crystallization and phasing of RNA structures. Rna, 15, 2009
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4MJ9
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![BU of 4mj9 by Molmil](/molmil-images/mine/4mj9) | lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer | Descriptor: | (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ... | Authors: | Hall, J.P, Cardin, C.J. | Deposit date: | 2013-09-03 | Release date: | 2014-09-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA Organometallics, 2015
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1BYI
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![BU of 1byi by Molmil](/molmil-images/mine/1byi) | STRUCTURE OF APO-DETHIOBIOTIN SYNTHASE AT 0.97 ANGSTROMS RESOLUTION | Descriptor: | DETHIOBIOTIN SYNTHASE | Authors: | Sandalova, T, Schneider, G, Kaeck, H, Lindqvist, Y. | Deposit date: | 1998-10-15 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure of dethiobiotin synthetase at 0.97 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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1XG0
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![BU of 1xg0 by Molmil](/molmil-images/mine/1xg0) | High resolution crystal structure of phycoerythrin 545 from the marine cryptophyte rhodomonas CS24 | Descriptor: | 15,16-DIHYDROBILIVERDIN, B-phycoerythrin beta chain, CHLORIDE ION, ... | Authors: | Doust, A.B, Marai, C.N.J, Harrop, S.J, Wilk, K.E, Curmi, P.M.G, Scholes, G.D. | Deposit date: | 2004-09-16 | Release date: | 2004-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Developing a structure-function model for the cryptophyte phycoerythrin 545 using ultrahigh resolution crystallography and ultrafast laser spectroscopy J.Mol.Biol., 344, 2004
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3AKS
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![BU of 3aks by Molmil](/molmil-images/mine/3aks) | |
1XMK
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![BU of 1xmk by Molmil](/molmil-images/mine/1xmk) | The Crystal structure of the Zb domain from the RNA editing enzyme ADAR1 | Descriptor: | CADMIUM ION, CHLORIDE ION, Double-stranded RNA-specific adenosine deaminase, ... | Authors: | Athanasiadis, A, Placido, D, Maas, S, Brown II, B.A, Lowenhaupt, K, Rich, A. | Deposit date: | 2004-10-03 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Crystal Structure of the Z[beta] Domain of the RNA-editing Enzyme ADAR1 Reveals Distinct Conserved Surfaces Among Z-domains. J.Mol.Biol., 351, 2005
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3EO6
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![BU of 3eo6 by Molmil](/molmil-images/mine/3eo6) | |
3RCG
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![BU of 3rcg by Molmil](/molmil-images/mine/3rcg) | Human cyclophilin D complexed with dimethylformamide | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-31 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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2VK5
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![BU of 2vk5 by Molmil](/molmil-images/mine/2vk5) | THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES | Descriptor: | CALCIUM ION, EXO-ALPHA-SIALIDASE, GLYCEROL | Authors: | Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L. | Deposit date: | 2007-12-17 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates. J.Biol.Chem., 283, 2008
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5XS6
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![BU of 5xs6 by Molmil](/molmil-images/mine/5xs6) | Crystal Structure of Transketolase in complex with TPP Pichia Stipitis | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, THIAMINE DIPHOSPHATE, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-12 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.972 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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3R1E
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![BU of 3r1e by Molmil](/molmil-images/mine/3r1e) | Crystal structure of GC(8BrG)GCGGC duplex | Descriptor: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W. | Deposit date: | 2011-03-10 | Release date: | 2011-06-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (0.972 Å) | Cite: | Crystal structures of CGG RNA repeats with implications for fragile X-associated tremor ataxia syndrome. Nucleic Acids Res., 39, 2011
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6RYG
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![BU of 6ryg by Molmil](/molmil-images/mine/6ryg) | |
5XSA
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![BU of 5xsa by Molmil](/molmil-images/mine/5xsa) | Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-13 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.975 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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6Q7D
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![BU of 6q7d by Molmil](/molmil-images/mine/6q7d) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13 | Descriptor: | 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.978 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
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3QPC
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![BU of 3qpc by Molmil](/molmil-images/mine/3qpc) | Structure of Fusarium Solani Cutinase expressed in Pichia pastoris, crystallized in the presence of Paraoxon | Descriptor: | Cutinase | Authors: | Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X. | Deposit date: | 2011-02-11 | Release date: | 2012-02-29 | Method: | X-RAY DIFFRACTION (0.978 Å) | Cite: | Structure of Fusarium Solani Cutinase expressed in Pichia pastoris To be Published
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5R3D
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![BU of 5r3d by Molmil](/molmil-images/mine/5r3d) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 37, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.979 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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4RTZ
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![BU of 4rtz by Molmil](/molmil-images/mine/4rtz) | |
5R3R
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![BU of 5r3r by Molmil](/molmil-images/mine/5r3r) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 51, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.979 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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7PH0
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![BU of 7ph0 by Molmil](/molmil-images/mine/7ph0) | Structure of light-adapted AsLOV2 Q513L | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Gelfert, R, Weyand, M, Moeglich, A. | Deposit date: | 2021-08-16 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.979 Å) | Cite: | Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. Nat Commun, 13, 2022
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8V56
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![BU of 8v56 by Molmil](/molmil-images/mine/8v56) | UIC-1 mutant - UIC-1-B5W | Descriptor: | UIC-1-B5W | Authors: | Heinz-Kunert, S.L. | Deposit date: | 2023-11-30 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues. Biomacromolecules, 25, 2024
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7PMT
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![BU of 7pmt by Molmil](/molmil-images/mine/7pmt) | Human Cyclophilin D in complex with N-[(5-ethyl-4-oxo-1,2,3,4,5,6- hexahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Descriptor: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | Deposit date: | 2021-09-02 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Human Cyclophilin D in complex with N-[(4-aminophenyl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published
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7ATV
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![BU of 7atv by Molmil](/molmil-images/mine/7atv) | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | Deposit date: | 2020-10-31 | Release date: | 2021-08-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
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