9C5S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9c5s by Molmil](/molmil-images/mine/9c5s) | Disulfide-linked, antiparallel p53-derived peptide dimer (CV1) | Descriptor: | Cellular tumor antigen p53, SULFATE ION | Authors: | Vithanage, N, Kreitler, D.K, DiGiorno, M.C, Victorio, C.G, Sawyer, N, Outlaw, V.K. | Deposit date: | 2024-06-06 | Release date: | 2024-06-26 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structural Characterization of Disulfide-Linked p53-Derived Peptide Dimers. Res Sq, 2024
|
|
7UYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uya by Molmil](/molmil-images/mine/7uya) | Inhibitor bound VIM1 | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
|
|
7H47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7h47 by Molmil](/molmil-images/mine/7h47) | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1270393711 (A71EV2A-x0571) | Descriptor: | 5-(methoxymethyl)-1,2-oxazole-3-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-04 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
|
|
4PRR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4prr by Molmil](/molmil-images/mine/4prr) | |
5AMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5amx by Molmil](/molmil-images/mine/5amx) | Crystal Structure of Proteinase K processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | PROTEINASE K, SULFATE ION | Authors: | Zander, U, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-02 | Release date: | 2016-04-13 | Last modified: | 2016-04-20 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
|
|
5MNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mnp by Molmil](/molmil-images/mine/5mnp) | |
8CHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8chq by Molmil](/molmil-images/mine/8chq) | The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
|
|
8PFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pfq by Molmil](/molmil-images/mine/8pfq) | RNA structure with 1-methylpseudoridine, P1 space group | Descriptor: | Chains: A,B, MAGNESIUM ION | Authors: | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | Deposit date: | 2023-06-16 | Release date: | 2024-01-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines. Chemmedchem, 19, 2024
|
|
1X8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1x8o by Molmil](/molmil-images/mine/1x8o) | 1.01 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Complexed With Nitric Oxide at pH 5.6 | Descriptor: | NITRIC OXIDE, Nitrophorin 4, PHOSPHATE ION, ... | Authors: | Kondrashov, D.A, Roberts, S.A, Weichsel, A, Montfort, W.R. | Deposit date: | 2004-08-18 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding Biochemistry, 43, 2004
|
|
2NNO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nno by Molmil](/molmil-images/mine/2nno) | Structure of inhibitor binding to Carbonic Anhydrase II | Descriptor: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-24 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc., 129, 2007
|
|
8Q1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q1f by Molmil](/molmil-images/mine/8q1f) | D10N,P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with native beta-glucose 1,6-bisphosphate intermediate | Descriptor: | 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Cruz-Navarrete, F.A, Baxter, N.J, Flinders, A.J, Buzoianu, A, Cliff, M.J, Baker, P.J, Waltho, J.P. | Deposit date: | 2023-07-31 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase. Commun Biol, 7, 2024
|
|
7OGI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ogi by Molmil](/molmil-images/mine/7ogi) | Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Descriptor: | DIMETHYL SULFOXIDE, N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | Deposit date: | 2021-05-06 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published
|
|
7A22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a22 by Molmil](/molmil-images/mine/7a22) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-15 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
|
|
6FK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fk2 by Molmil](/molmil-images/mine/6fk2) | |
3ZIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ziy by Molmil](/molmil-images/mine/3ziy) | Structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.01 A resolution | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, HEME C | Authors: | Antonyuk, S.V, Han, C, Eady, R.R, Hasnain, S.S. | Deposit date: | 2013-01-14 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structures of protein-protein complexes involved in electron transfer. Nature, 496, 2013
|
|
4BPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bpf by Molmil](/molmil-images/mine/4bpf) | |
5RCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rct by Molmil](/molmil-images/mine/5rct) | PanDDA analysis group deposition -- Endothiapepsin ground state model 15 | 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 (1.01 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
6IGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6igh by Molmil](/molmil-images/mine/6igh) | Crystal structure of FT condition3 | Descriptor: | 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T | Authors: | Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K. | Deposit date: | 2018-09-25 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering. Iscience, 21, 2019
|
|
7LOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7loe by Molmil](/molmil-images/mine/7loe) | T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene | Descriptor: | 1-fluoranylnaphthalene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | Deposit date: | 2021-02-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6G3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g3q by Molmil](/molmil-images/mine/6g3q) | Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Ferraroni, M, Supuran, C.T, Angeli, A. | Deposit date: | 2018-03-26 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases. ACS Med Chem Lett, 9, 2018
|
|
7A2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a2h by Molmil](/molmil-images/mine/7a2h) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | Deposit date: | 2020-08-18 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg.Chem., 106, 2021
|
|
6R33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r33 by Molmil](/molmil-images/mine/6r33) | |
4YX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yx4 by Molmil](/molmil-images/mine/4yx4) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
|
|
8KDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8kdx by Molmil](/molmil-images/mine/8kdx) | |
8E09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e09 by Molmil](/molmil-images/mine/8e09) | |