2YY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yy7 by Molmil](/molmil-images/mine/2yy7) | Crystal structure of thermolabile L-threonine dehydrogenase from Flavobacterium frigidimaris KUC-1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, ... | Authors: | Yoneda, K, Sakuraba, H, Oikawa, T, Muraoka, I, Ohshima, T. | Deposit date: | 2007-04-27 | Release date: | 2008-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.061 Å) | Cite: | Crystal structure of UDP-galactose 4-epimerase-like L-threonine dehydrogenase belonging to the intermediate short-chain dehydrogenase-reductase superfamily Febs J., 277, 2010
|
|
4A6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a6v by Molmil](/molmil-images/mine/4a6v) | X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes | Descriptor: | CARBONATE ION, MANGANESE (II) ION, METHIONINE AMINOPEPTIDASE, ... | Authors: | Huguet, F, Melet, A, AlvesdeSousa, R, Lieutaud, A, Chevalier, J, Deschamps, P, Tomas, A, Leulliot, N, Pages, J.M, Artaud, I. | Deposit date: | 2011-11-09 | Release date: | 2012-06-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes. Chemmedchem, 7, 2012
|
|
4A9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a9u by Molmil](/molmil-images/mine/4a9u) | CRYSTAL STRUCTURE OF HUMAN CHK2 IN COMPLEX WITH BENZIMIDAZOLE CARBOXAMIDE INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(1-BENZYLPIPERIDIN-4-YL)METHOXY]PHENYL}-1H-BENZIMIDAZOLE-6-CARBOXAMIDE, CHLORIDE ION, ... | Authors: | Matijssen, C, Silva-Santisteban, M.C, Westwood, I.M, Siddique, S, Choi, V, Sheldrake, P, van Montfort, R.L.M, Blagg, J. | Deposit date: | 2011-11-28 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Benzimidazole Inhibitors of the Protein Kinase Chk2: Clarification of the Binding Mode by Flexible Side Chain Docking and Protein-Ligand Crystallography Bioorg.Med.Chem., 20, 2012
|
|
4A8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a8f by Molmil](/molmil-images/mine/4a8f) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | Descriptor: | 5'-D(*DAP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | Deposit date: | 2011-11-21 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
|
|
4AHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aht by Molmil](/molmil-images/mine/4aht) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification? J.Biomol.Screen, 18, 2013
|
|
1NJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1njm by Molmil](/molmil-images/mine/1njm) | The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with a tRNA acceptor stem mimic (ASM) and the antibiotic sparsomycin | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L16, GENERAL STRESS PROTEIN CTC, ... | Authors: | Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A. | Deposit date: | 2003-01-02 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural basis of the ribosomal machinery for Peptide bond formation,
translocation, and nascent chain progression Mol.Cell, 11, 2003
|
|
4AJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ajz by Molmil](/molmil-images/mine/4ajz) | Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. | Deposit date: | 2012-02-21 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec. Biochemistry, 52, 2013
|
|
8U1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u1m by Molmil](/molmil-images/mine/8u1m) | |
8U1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u1n by Molmil](/molmil-images/mine/8u1n) | |
2YVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yvh by Molmil](/molmil-images/mine/2yvh) | |
2HMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hmd by Molmil](/molmil-images/mine/2hmd) | Stereochemistry Modulates Stability of Reduced Inter-Strand Cross-Links Arising From R- and S-alpha-methyl-gamma-OH-1,N2-propano-2'-Deoxyguanine in the 5'-CpG-3' DNA Sequence | Descriptor: | DNA dodecamer with interstrand cross-link | Authors: | Cho, Y.-J, Kozekov, I.D, Harris, T.M, Rizzo, C.J, Stone, M.P. | Deposit date: | 2006-07-11 | Release date: | 2007-03-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Stereochemistry Modulates the Stability of Reduced Interstrand Cross-Links Arising from R- and S-alpha-CH(3)-gamma-OH-1,N(2)-Propano-2'-deoxyguanosine in the 5'-CpG-3' DNA Sequence Biochemistry, 46, 2007
|
|
1L5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l5n by Molmil](/molmil-images/mine/1l5n) | Crystal Structure of CobT complexed with imidazole | Descriptor: | IMIDAZOLE, Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, PHOSPHATE ION | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | Deposit date: | 2002-03-07 | Release date: | 2002-09-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of the L-threonine-O-3-phosphate decarboxylase
(CobD) enzyme from Salmonella enterica: the apo, substrate, and
product-aldimine complexes. Biochemistry, 41, 2002
|
|
3P9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p9p by Molmil](/molmil-images/mine/3p9p) | Structure of I274V variant of E. coli KatE | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S, ... | Authors: | Loewen, P.C, Jha, V, Louis, S, Chelikani, P, Carpena, X, Fita, I. | Deposit date: | 2010-10-18 | Release date: | 2010-12-22 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Modulation of heme orientation and binding by a single residue in catalase HPII of Escherichia coli. Biochemistry, 50, 2011
|
|
1LHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lho by Molmil](/molmil-images/mine/1lho) | CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17BETA-DIOL | Descriptor: | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, CALCIUM ION, SEX HORMONE-BINDING GLOBULIN | Authors: | Grishkovskaya, I, Avvakumov, G.V, Hammond, G.L, Catalano, M.G, Muller, Y.A. | Deposit date: | 2002-04-17 | Release date: | 2002-10-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Steroid Ligands Bind Human Sex Hormone-binding Globulin in Specific Orientations and Produce Distinct Changes in Protein Conformation J.Biol.Chem., 277, 2002
|
|
4O5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o5l by Molmil](/molmil-images/mine/4o5l) | Crystal structure of broadly neutralizing antibody F045-092 | Descriptor: | Fab F045-092 heavy chain, Fab F045-092 light chain, PHOSPHATE ION | Authors: | Lee, P.S, Wilson, I.A. | Deposit date: | 2013-12-19 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5045 Å) | Cite: | Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus. Nat Commun, 5, 2014
|
|
8TQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tqg by Molmil](/molmil-images/mine/8tqg) | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 | Descriptor: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION | Authors: | Krieger, I.V, Sacchettini, J.C. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening. Acs Infect Dis., 10, 2024
|
|
1LM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lm2 by Molmil](/molmil-images/mine/1lm2) | NMR structural characterization of the reduction of chromium(VI) to chromium(III) by cytochrome c7 | Descriptor: | CHROMIUM ION, HEME C, cytochrome c7 | Authors: | Assfalg, M, Bertini, I, Bruschi, M, Michel, C, Turano, P. | Deposit date: | 2002-04-30 | Release date: | 2002-07-31 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The metal reductase activity of some multiheme cytochromes c: NMR structural characterization of the reduction of chromium(VI) to chromium(III) by cytochrome c(7). Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
2YEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yep by Molmil](/molmil-images/mine/2yep) | STRUCTURE OF AN N-TERMINAL NUCLEOPHILE (NTN) HYDROLASE, OAT2, IN COMPLEX WITH GLUTAMATE | Descriptor: | ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN, ... | Authors: | Chowdhury, R, Iqbal, A, Clifton, I.J, Schofield, C.J. | Deposit date: | 2011-03-29 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Analyses Reveal How Ornithine Acetyl Transferase Binds Acidic and Basic Amino Acid Substrates. Org.Biomol.Chem., 9, 2011
|
|
2Y7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y7y by Molmil](/molmil-images/mine/2y7y) | APLYSIA CALIFORNICA ACHBP IN APO STATE | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis. J.Med.Chem., 52, 2009
|
|
3OR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3or2 by Molmil](/molmil-images/mine/3or2) | Crystal structure of dissimilatory sulfite reductase II (DsrII) | Descriptor: | IRON/SULFUR CLUSTER, SIROHEME, SULFITE ION, ... | Authors: | Hsieh, Y.C, Liu, M.Y, Wang, V.C.C, Chiang, Y.L, Liu, E.H, Wu, W.G, Chan, S.I, Chen, C.J. | Deposit date: | 2010-09-06 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Dissimilatory Sulfite Reductase, Sulfate Reduction To be Published
|
|
3OT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ot5 by Molmil](/molmil-images/mine/3ot5) | 2.2 Angstrom Resolution Crystal Structure of putative UDP-N-acetylglucosamine 2-epimerase from Listeria monocytogenes | Descriptor: | DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 2-epimerase | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-10 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2.2 Angstrom Resolution Crystal Structure of putative UDP-N-acetylglucosamine 2-epimerase from Listeria monocytogenes. TO BE PUBLISHED
|
|
3P5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p5f by Molmil](/molmil-images/mine/3p5f) | Structure of the carbohydrate-recognition domain of human Langerin with man2 (Man alpha1-2 Man) | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-mannopyranose, ... | Authors: | Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I. | Deposit date: | 2010-10-08 | Release date: | 2010-12-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7501 Å) | Cite: | Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site. J.Mol.Biol., 405, 2011
|
|
7F1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f1g by Molmil](/molmil-images/mine/7f1g) | BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | Descriptor: | Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE | Authors: | Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2021-06-09 | Release date: | 2022-02-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions. J.Med.Chem., 64, 2021
|
|
2HTH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hth by Molmil](/molmil-images/mine/2hth) | Structural basis for ubiquitin recognition by the human EAP45/ESCRT-II GLUE domain | Descriptor: | Ubiquitin, Vacuolar protein sorting protein 36 | Authors: | Alam, S.L, Whitby, F.G, Hill, C.P, Sundquist, W.I. | Deposit date: | 2006-07-25 | Release date: | 2006-10-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for ubiquitin recognition by the human ESCRT-II EAP45 GLUE domain. Nat.Struct.Mol.Biol., 13, 2006
|
|
4ONF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4onf by Molmil](/molmil-images/mine/4onf) | Fab fragment of 3D6 in complex with amyloid beta 1-7 | Descriptor: | 3D6 FAB ANTIBODY HEAVY CHAIN, 3D6 FAB ANTIBODY LIGHT CHAIN, Amyloid beta A4 protein | Authors: | Feinberg, H, Saldanha, J.W, Diep, L, Goel, A, Widom, A, Veldman, G.M, Weis, W.I, Schenk, D, Basi, G.S. | Deposit date: | 2014-01-28 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure reveals conservation of amyloid-beta conformation recognized by 3D6 following humanization to bapineuzumab. Alzheimers Res Ther, 6, 2014
|
|