7ADR
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![BU of 7adr by Molmil](/molmil-images/mine/7adr) | CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | Authors: | Rohde, M, Grunau, K, Einsle, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | CO Binding to the FeV Cofactor of CO-Reducing Vanadium Nitrogenase at Atomic Resolution. Angew.Chem.Int.Ed.Engl., 59, 2020
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7CSN
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![BU of 7csn by Molmil](/molmil-images/mine/7csn) | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Viswanathan, V, Sharma, P, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2020-08-15 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution To Be Published
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6ODG
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![BU of 6odg by Molmil](/molmil-images/mine/6odg) | SVQIVY, Crystal Structure of a tau protein fragment | Descriptor: | Microtubule-associated protein tau | Authors: | Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Seidler, P.M. | Deposit date: | 2019-03-26 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure-based inhibitors halt prion-like seeding by Alzheimer's disease-and tauopathy-derived brain tissue samples. J.Biol.Chem., 294, 2019
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5RT2
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![BU of 5rt2 by Molmil](/molmil-images/mine/5rt2) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361 | Descriptor: | 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RTW
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![BU of 5rtw by Molmil](/molmil-images/mine/5rtw) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777 | Descriptor: | (2-HYDROXYPHENYL)ACETIC ACID, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUC
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![BU of 5ruc by Molmil](/molmil-images/mine/5ruc) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878 | Descriptor: | NICOTINAMIDE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RUR
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![BU of 5rur by Molmil](/molmil-images/mine/5rur) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334 | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RV7
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![BU of 5rv7 by Molmil](/molmil-images/mine/5rv7) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002 | Descriptor: | 1H-indazol-3-amine, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4W5L
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![BU of 4w5l by Molmil](/molmil-images/mine/4w5l) | Crystal structure of a prp peptide | Descriptor: | PrP peptide | Authors: | Yu, L, Lee, S.-J, Yee, V. | Deposit date: | 2014-08-18 | Release date: | 2015-05-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations. Biochemistry, 54, 2015
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2RBK
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![BU of 2rbk by Molmil](/molmil-images/mine/2rbk) | |
6RI0
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![BU of 6ri0 by Molmil](/molmil-images/mine/6ri0) | Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by chloride anions at sub-atomic resolution. Ninth structure of the series with 1215 KGy dose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2019-04-23 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism. Acta Crystallogr D Struct Biol, 75, 2019
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1OAI
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![BU of 1oai by Molmil](/molmil-images/mine/1oai) | |
4X6H
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![BU of 4x6h by Molmil](/molmil-images/mine/4x6h) | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | Descriptor: | 4-amino-3-fluoro-N-(1-{[(2Z)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide, Cathepsin K, ... | Authors: | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | Deposit date: | 2014-12-08 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J.Med.Chem., 58, 2015
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5RBX
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![BU of 5rbx by Molmil](/molmil-images/mine/5rbx) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D10a | Descriptor: | 2-methyl-N-(4-methylphenyl)-L-alanine, 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 (1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCF
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![BU of 5rcf by Molmil](/molmil-images/mine/5rcf) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H10b | Descriptor: | (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine, 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 (1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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1MSO
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![BU of 1mso by Molmil](/molmil-images/mine/1mso) | T6 Human Insulin at 1.0 A Resolution | Descriptor: | Insulin A-Chain, Insulin B-Chain, ZINC ION | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | Deposit date: | 2002-09-19 | Release date: | 2003-03-04 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The structure of T6 human insulin at 1.0 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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8DPY
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![BU of 8dpy by Molmil](/molmil-images/mine/8dpy) | |
5XBU
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![BU of 5xbu by Molmil](/molmil-images/mine/5xbu) | Crystal structure of GH45 endoglucanase EG27II in apo-form | Descriptor: | Endo-beta-1,4-glucanase | Authors: | Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B. | Deposit date: | 2017-03-21 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean. Acta Crystallogr D Struct Biol, 75, 2019
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1EB6
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![BU of 1eb6 by Molmil](/molmil-images/mine/1eb6) | Deuterolysin from Aspergillus oryzae | Descriptor: | 1,2-ETHANEDIOL, NEUTRAL PROTEASE II, ZINC ION | Authors: | McAuley, K.E, Jia-Xing, Y, Dodson, E.J, Lehmbeck, J, Ostergaard, P.R, Wilson, K.S. | Deposit date: | 2001-07-19 | Release date: | 2001-11-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A Quick Solution: Ab Initio Structure Determination of a 19 kDa Metalloproteinase Using Acorn Acta Crystallogr.,Sect.D, 57, 2001
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5RSU
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![BU of 5rsu by Molmil](/molmil-images/mine/5rsu) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055 | Descriptor: | Non-structural protein 3, salicylamide | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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3E6Z
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![BU of 3e6z by Molmil](/molmil-images/mine/3e6z) | |
5RTS
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![BU of 5rts by Molmil](/molmil-images/mine/5rts) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004 | Descriptor: | 5-phenylpyridine-3-carboxylic acid, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5RU8
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![BU of 5ru8 by Molmil](/molmil-images/mine/5ru8) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817 | Descriptor: | ISOQUINOLIN-1-AMINE, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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4UBY
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![BU of 4uby by Molmil](/molmil-images/mine/4uby) | |
5RUP
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![BU of 5rup by Molmil](/molmil-images/mine/5rup) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927 | Descriptor: | Non-structural protein 3, [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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