3AJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3aj4 by Molmil](/molmil-images/mine/3aj4) | Crystal structure of the PH domain of Evectin-2 from human complexed with O-phospho-L-serine | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOSERINE, Pleckstrin homology domain-containing family B member 2 | Authors: | Okazaki, S, Kato, R, Wakatsuki, S. | Deposit date: | 2010-05-21 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Intracellular phosphatidylserine is essential for retrograde membrane traffic through endosomes Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
1QD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qd8 by Molmil](/molmil-images/mine/1qd8) | COMPLEX OF VANCOMYCIN WITH N-ACETYL GLYCINE | Descriptor: | ACETYLAMINO-ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ... | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | Deposit date: | 1999-07-15 | Release date: | 1999-08-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding. J.Med.Chem., 42, 1999
|
|
3H31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h31 by Molmil](/molmil-images/mine/3h31) | Structure of Rhodothermus marinus HiPIP at 1.0 A resolution | Descriptor: | High potential iron-sulfur protein, IRON/SULFUR CLUSTER | Authors: | Stelter, M, Melo, A.M.P, Saraiva, L, Teixeira, M, Archer, M. | Deposit date: | 2009-04-15 | Release date: | 2009-12-15 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure at 1.0 A resolution of a high-potential iron-sulfur protein involved in the aerobic respiratory chain of Rhodothermus marinus J.Biol.Inorg.Chem., 15, 2010
|
|
5RSK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsk by Molmil](/molmil-images/mine/5rsk) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3 | Descriptor: | 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-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
|
|
5RTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rte by Molmil](/molmil-images/mine/5rte) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576 | Descriptor: | 4-(1H-imidazol-2-yl)pyridine, 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
|
|
5RSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsf by Molmil](/molmil-images/mine/5rsf) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281 | Descriptor: | 9-methyl-9H-purine-2,6-diamine, 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
|
|
5RTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtv by Molmil](/molmil-images/mine/5rtv) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894 | Descriptor: | 3-hydroxy-2-methylbenzoic acid, DIMETHYL SULFOXIDE, 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
|
|
5RSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsx by Molmil](/molmil-images/mine/5rsx) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262 | Descriptor: | 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid, DIMETHYL SULFOXIDE, 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
|
|
5RTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rtt by Molmil](/molmil-images/mine/5rtt) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830 | Descriptor: | 3-(1-methyl-1H-indol-3-yl)propanoic 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
|
|
5RUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rus by Molmil](/molmil-images/mine/5rus) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081 | Descriptor: | HISTAMINE, 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
|
|
5RU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ru9 by Molmil](/molmil-images/mine/5ru9) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882 | Descriptor: | 3-AMINOPYRIDINE-4-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
|
|
5RV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rv9 by Molmil](/molmil-images/mine/5rv9) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150 | Descriptor: | 4-tert-butylbenzene-1,2-diol, 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: | 2022-05-25 | 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
|
|
5RUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5run by Molmil](/molmil-images/mine/5run) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295 | Descriptor: | 3-(1H-benzimidazol-1-yl)propanoic 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
|
|
5RV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rv5 by Molmil](/molmil-images/mine/5rv5) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948 | Descriptor: | BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, 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
|
|
2EWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ewk by Molmil](/molmil-images/mine/2ewk) | |
1IR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ir0 by Molmil](/molmil-images/mine/1ir0) | OXIDIZED [4Fe-4S] FERREDOXIN FROM BACILLUS THERMOPROTEOLYTICUS (FORM II) | Descriptor: | Ferredoxin, IRON/SULFUR CLUSTER, SULFATE ION | Authors: | Fukuyama, K, Okada, T, Kakuta, Y, Takahashi, Y. | Deposit date: | 2001-08-30 | Release date: | 2002-02-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic resolution structures of oxidized [4Fe-4S] ferredoxin from Bacillus thermoproteolyticus in two crystal forms: systematic distortion of [4Fe-4S] cluster in the protein. J.Mol.Biol., 315, 2002
|
|
1OD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1od3 by Molmil](/molmil-images/mine/1od3) | Structure of CSCBM6-3 From Clostridium stercorarium in complex with laminaribiose | Descriptor: | ACETIC ACID, CALCIUM ION, PUTATIVE XYLANASE, ... | Authors: | Boraston, A.B, Notenboom, V, Warren, R.A.J, Kilburn, D.G, Rose, D.R, Davies, G.J. | Deposit date: | 2003-02-12 | Release date: | 2003-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure and Ligand Binding of Carbohydrate-Binding Module Cscbm6-3 Reveals Similarities with Fucose-Specific Lectins and Galactose-Binding Domains J.Mol.Biol., 327, 2003
|
|
1DCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dcg by Molmil](/molmil-images/mine/1dcg) | THE MOLECULAR STRUCTURE OF THE LEFT-HANDED Z-DNA DOUBLE HELIX AT 1.0 ANGSTROM ATOMIC RESOLUTION. GEOMETRY, CONFORMATION, AND IONIC INTERACTIONS OF D(CGCGCG) | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Gessner, R.V, Frederick, C.A, Quigley, G.J, Rich, A, Wang, A.H.-J. | Deposit date: | 1988-08-29 | Release date: | 1989-01-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The molecular structure of the left-handed Z-DNA double helix at 1.0-A atomic resolution. Geometry, conformation, and ionic interactions of d(CGCGCG). J.Biol.Chem., 264, 1989
|
|
5RCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rcj by Molmil](/molmil-images/mine/5rcj) | PanDDA analysis group deposition -- Endothiapepsin ground state model 04 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, 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 (1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5re2 by Molmil](/molmil-images/mine/5re2) | PanDDA analysis group deposition -- Endothiapepsin ground state model 59 | 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 (1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
6I3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i3b by Molmil](/molmil-images/mine/6i3b) | |
1LNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lni by Molmil](/molmil-images/mine/1lni) | CRYSTAL STRUCTURE ANALYSIS OF A RIBONUCLEASE FROM STREPTOMYCES AUREOFACIENS AT ATOMIC RESOLUTION (1.0 A) | Descriptor: | GLYCEROL, GUANYL-SPECIFIC RIBONUCLEASE SA, SULFATE ION | Authors: | Sevcik, J, Lamzin, V.S, Dauter, Z, Wilson, K.S. | Deposit date: | 2002-05-03 | Release date: | 2002-07-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic resolution data reveal flexibility in the structure of RNase Sa. Acta Crystallogr.,Sect.D, 58, 2002
|
|
5RSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsn by Molmil](/molmil-images/mine/5rsn) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576 | Descriptor: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)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
|
|
4CNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cnn by Molmil](/molmil-images/mine/4cnn) | High resolution structure of Salmonella typhi type I dehydroquinase | Descriptor: | 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, CITRIC ACID, ... | Authors: | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2014-01-23 | Release date: | 2015-02-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase To be Published
|
|
5RSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rsj by Molmil](/molmil-images/mine/5rsj) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3 | Descriptor: | 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-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
|
|