1YKV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ykv by Molmil](/molmil-images/mine/1ykv) | Crystal structure of the Diels-Alder ribozyme complexed with the product of the reaction between N-pentylmaleimide and covalently attached 9-hydroxymethylanthracene | Descriptor: | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-3A,4,9,9A-TETRAHYDRO-4,9[1',2']-BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-DIONE, Diels-Alder ribozyme, MAGNESIUM ION | Authors: | Serganov, A, Keiper, S, Malinina, L, Tereshko, V, Skripkin, E, Hobartner, C, Polonskaia, A, Phan, A.T, Wombacher, R, Micura, R, Dauter, Z, Jaschke, A, Patel, D.J. | Deposit date: | 2005-01-18 | Release date: | 2005-02-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis for Diels-Alder ribozyme-catalyzed carbon-carbon bond formation. Nat.Struct.Mol.Biol., 12, 2005
|
|
1YJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yj0 by Molmil](/molmil-images/mine/1yj0) | Crystal Structures of Chicken Annexin V in Complex with Zn2+ | Descriptor: | Annexin A5, SULFATE ION, ZINC ION | Authors: | Ortlund, E.A, Chai, G, Genge, B, Wu, L.N.Y, Wuthier, R.E, Lebioda, L. | Deposit date: | 2005-01-11 | Release date: | 2005-03-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structures of Chicken Annexin A5 in Complex with Functional Modifiers Ca2+ and Zn2+ Reveal Zn2+ Induced Formation of Non-Planar Assemblies Annexins, 1, 2005
|
|
5W9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w9e by Molmil](/molmil-images/mine/5w9e) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
|
|
5LL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ll7 by Molmil](/molmil-images/mine/5ll7) | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | Descriptor: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | Deposit date: | 2016-07-26 | Release date: | 2018-02-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
|
|
5VX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vx5 by Molmil](/molmil-images/mine/5vx5) | VP8* of a G2P[4] Human Rotavirus in complex with LNFP1 | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Hu, L, Venkataram Prasad, B.V. | Deposit date: | 2017-05-23 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.285 Å) | Cite: | Glycan recognition in globally dominant human rotaviruses. Nat Commun, 9, 2018
|
|
1PE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pe0 by Molmil](/molmil-images/mine/1pe0) | |
1PF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pf5 by Molmil](/molmil-images/mine/1pf5) | Structural Genomics, Protein YJGH | Descriptor: | Hypothetical protein yjgH, MERCURY (II) ION | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Xu, L, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-05-23 | Release date: | 2003-12-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 2.5A crystal structure of protein YJGH from E. Coli To be Published
|
|
6EYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eym by Molmil](/molmil-images/mine/6eym) | Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | Deposit date: | 2017-11-13 | Release date: | 2018-09-12 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
|
|
5AI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ai6 by Molmil](/molmil-images/mine/5ai6) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-BROMOQUINOLINE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
|
|
5LPG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lpg by Molmil](/molmil-images/mine/5lpg) | Structure of NUDT15 in complex with 6-thio-GMP | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Masuyer, G, Carter, M, Rehling, D, Stenmark, P, Helleday, T, Jemth, A.-S, Valerie, N.C.K, Homan, E, Herr, P, Bevc, L, Page, B.D.G, Hagenkort, A. | Deposit date: | 2016-08-12 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine. Cancer Res., 76, 2016
|
|
5ALE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ale by Molmil](/molmil-images/mine/5ale) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-chloro-2-isoxazol-5-yl-phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
|
|
7QAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qaa by Molmil](/molmil-images/mine/7qaa) | Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid | Descriptor: | 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, Isoform Alpha-1-deltaBC of Retinoic acid receptor alpha, OLEIC ACID, ... | Authors: | le Maire, A, Vivat, V, Guee, L, Blanc, P, Malosse, C, Chamot-Rooke, J, Germain, P, Bourguet, w. | Deposit date: | 2021-11-16 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
|
|
1YLH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ylh by Molmil](/molmil-images/mine/1ylh) | Crystal Structure of Phosphoenolpyruvate Carboxykinase from Actinobaccilus succinogenes in Complex with Manganese and Pyruvate | Descriptor: | (2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTANE-1-SULFONATE, BETA-MERCAPTOETHANOL, FORMIC ACID, ... | Authors: | Leduc, Y.A, Prasad, L, Laivenieks, M, Zeikus, J.G, Delbaere, L.T. | Deposit date: | 2005-01-19 | Release date: | 2005-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of PEP carboxykinase from the succinate-producing Actinobacillus succinogenes: a new conserved active-site motif. Acta Crystallogr.,Sect.D, 61, 2005
|
|
1PIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pig by Molmil](/molmil-images/mine/1pig) | PIG PANCREATIC ALPHA-AMYLASE COMPLEXED WITH THE OLIGOSACCHARIDE V-1532 | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ... | Authors: | Machius, M, Vertesy, L, Huber, R, Wiegand, G. | Deposit date: | 1996-06-15 | Release date: | 1996-12-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Carbohydrate and protein-based inhibitors of porcine pancreatic alpha-amylase: structure analysis and comparison of their binding characteristics. J.Mol.Biol., 260, 1996
|
|
5AAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aao by Molmil](/molmil-images/mine/5aao) | Crystal structure of fluorogen-activating designed ankyrin repeat protein (DARPin) dimer in complex with malachite green | Descriptor: | 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline, FAD3210 | Authors: | Batyuk, A, Schuetz, M, Kummer, L, Wu, Y, Mittl, P, Plueckthun, A. | Deposit date: | 2015-07-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Generation of Fluorogen-Activating Designed Ankyrin Repeat Proteins (FADAs) as Versatile Sensor Tools. J. Mol. Biol., 428, 2016
|
|
1YNI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yni by Molmil](/molmil-images/mine/1yni) | Crystal Structure of N-Succinylarginine Dihydrolase, AstB, bound to Substrate and Product, an Enzyme from the Arginine Catabolic Pathway of Escherichia coli | Descriptor: | N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE, POTASSIUM ION, Succinylarginine Dihydrolase | Authors: | Tocilj, A, Schrag, J.D, Li, Y, Schneider, B.L, Reitzer, L, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2005-01-24 | Release date: | 2005-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of N-succinylarginine dihydrolase AstB, bound to substrate and product, an enzyme from the arginine catabolic pathway of Escherichia coli. J.Biol.Chem., 280, 2005
|
|
5AL5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5al5 by Molmil](/molmil-images/mine/5al5) | Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one | Descriptor: | 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
|
|
6F6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f6t by Molmil](/molmil-images/mine/6f6t) | |
4ZZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zzk by Molmil](/molmil-images/mine/4zzk) | Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori | Descriptor: | Basal-body rod modification protein FlgD | Authors: | Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G. | Deposit date: | 2015-05-22 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori. J.Struct.Biol., 194, 2016
|
|
1W50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w50 by Molmil](/molmil-images/mine/1w50) | Apo Structure of BACE (Beta Secretase) | Descriptor: | BETA-SECRETASE 1, IODIDE ION | Authors: | Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J. | Deposit date: | 2004-08-04 | Release date: | 2004-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Apo and Inhibitor Complex Structures of Bace (Beta-Secretase) J.Mol.Biol., 343, 2004
|
|
5ACM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5acm by Molmil](/molmil-images/mine/5acm) | Mcg immunoglobulin variable domain with methylene blue | Descriptor: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, GLYCEROL, MCG, ... | Authors: | Brumshtein, B, Esswein, S.R, Salwinski, L, Phillips, M.L, Ly, A.T, Cascio, D, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2015-08-17 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain. Elife, 4, 2015
|
|
5VJ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vj1 by Molmil](/molmil-images/mine/5vj1) | |
1N73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n73 by Molmil](/molmil-images/mine/1n73) | Fibrin D-Dimer, Lamprey complexed with the PEPTIDE LIGAND: GLY-HIS-ARG-PRO-AMIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrin alpha-1 chain, ... | Authors: | Yang, Z, Pandi, L, Doolittle, R.F. | Deposit date: | 2002-11-12 | Release date: | 2003-01-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Crystal structure of fragment double-D from cross-linked lamprey fibrin reveals isopeptide linkages across an unexpected D-D interface Biochemistry, 41, 2002
|
|
5YR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yr3 by Molmil](/molmil-images/mine/5yr3) | Structure of sfYFP66BPA | Descriptor: | Yellow fluorescent protein | Authors: | Kang, F, Wang, L, Wang, J. | Deposit date: | 2017-11-08 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | sfYFP66BPA To Be Published
|
|
1NG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ng0 by Molmil](/molmil-images/mine/1ng0) | |