2BVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bvd by Molmil](/molmil-images/mine/2bvd) | HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | Descriptor: | (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | Deposit date: | 2005-06-27 | Release date: | 2005-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A. J.Biol.Chem., 280, 2005
|
|
4I1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i1m by Molmil](/molmil-images/mine/4i1m) | Crystal structure of the Legionella pneumophila GAP domain of LepB | Descriptor: | DI(HYDROXYETHYL)ETHER, LepB | Authors: | Streller, A, Gazdag, E.M, Vetter, I.R, Goody, R.S, Itzen, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB. Embo Rep., 14, 2013
|
|
3J05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3j05 by Molmil](/molmil-images/mine/3j05) | Three-dimensional structure of Dengue virus serotype 1 complexed with HMAb 14c10 Fab | Descriptor: | envelope protein | Authors: | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A, Tan, T.T, Shi, P.Y, Yip, A, Schul, W, Leo, Y.S, Chan, S.H, Smith, K.G.C, Ooi, E.E, Kemeny, D.M, Ng, G, Ng, M.L, Alonso, S, Fisher, D, Hanson, B, Lok, S.M, MacAry, P.A. | Deposit date: | 2011-04-01 | Release date: | 2012-07-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | The structural basis for serotype-specific neutralization of dengue virus by a human antibody. Sci Transl Med, 4, 2012
|
|
3QTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qtv by Molmil](/molmil-images/mine/3qtv) | Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-02-23 | Release date: | 2012-02-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
|
|
6THW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6thw by Molmil](/molmil-images/mine/6thw) | IRAK4 in complex with inhibitor | Descriptor: | 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | Deposit date: | 2019-11-21 | Release date: | 2020-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
|
|
3QOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qoc by Molmil](/molmil-images/mine/3qoc) | Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae | Descriptor: | CHLORIDE ION, Putative metallopeptidase, SULFATE ION | Authors: | Nocek, B, Stein, A, Marshall, N, Putagunta, R, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-09 | Release date: | 2011-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae TO BE PUBLISHED
|
|
2OBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oby by Molmil](/molmil-images/mine/2oby) | Crystal structure of Human P53 inducible oxidoreductase (TP53I3,PIG3) | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative quinone oxidoreductase | Authors: | Porte, S, Valencia, E, Farres, J, Fita, I, Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Oppermann, U, Pares, X. | Deposit date: | 2006-12-20 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3) To be Published
|
|
2BUD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bud by Molmil](/molmil-images/mine/2bud) | The solution structure of the chromo barrel domain from the males- absent on the first (MOF) protein | Descriptor: | MALES-ABSENT ON THE FIRST PROTEIN | Authors: | Nielsen, P.R, Nietlispach, D, Buscaino, A, Warner, R.J, Akhtar, A, Murzin, A.G, Murzina, N.V, Laue, E.D. | Deposit date: | 2005-06-09 | Release date: | 2005-06-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Chromo Barrel Domain from the Mof Acetyltransferase J.Biol.Chem., 280, 2005
|
|
3QWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qwc by Molmil](/molmil-images/mine/3qwc) | Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-02-28 | Release date: | 2012-03-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
|
|
6TLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tlr by Molmil](/molmil-images/mine/6tlr) | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | Descriptor: | 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | Deposit date: | 2019-12-03 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
|
|
3QS1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qs1 by Molmil](/molmil-images/mine/3qs1) | Crystal structure of KNI-10006 complex of Plasmepsin I (PMI) from Plasmodium falciparum | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Plasmepsin-1 | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | Deposit date: | 2011-02-19 | Release date: | 2011-05-11 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum. J.Struct.Biol., 175, 2011
|
|
3QXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qxx by Molmil](/molmil-images/mine/3qxx) | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP and 8-aminocaprylic acid | Descriptor: | 1,2-ETHANEDIOL, 8-aminooctanoic acid, Dethiobiotin synthetase, ... | Authors: | Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-03-02 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members. Febs J., 279, 2012
|
|
3B2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3b2j by Molmil](/molmil-images/mine/3b2j) | Iodide derivative of human LFABP | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | Authors: | Sharma, A, Yogavel, M, Sharma, A. | Deposit date: | 2011-08-03 | Release date: | 2012-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Utility of anion and cation combinations for phasing of protein structures. J.Struct.Funct.Genom., 13, 2012
|
|
6RH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rh0 by Molmil](/molmil-images/mine/6rh0) | Revisiting pH-gated conformational switch. Complex HK853-RR468 pH 5.5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Response regulator, ... | Authors: | Mideros-Mora, C, Casino, P, Marina, A. | Deposit date: | 2019-04-18 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases. Nat Commun, 11, 2020
|
|
1XXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xxq by Molmil](/molmil-images/mine/1xxq) | Structure of a mannose-specific jacalin-related lectin from Morus nigra | Descriptor: | ACETIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Rabijns, A, Barre, A, Van Damme, E.J.M, Peumans, W.J, De Ranter, C.J, Rouge, P. | Deposit date: | 2004-11-08 | Release date: | 2005-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of the jacalin-related lectin MornigaM from the black mulberry (Morus nigra) in complex with mannose Febs J., 272, 2005
|
|
3UR7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ur7 by Molmil](/molmil-images/mine/3ur7) | Higher-density crystal structure of potato endo-1,3-beta-glucanase | Descriptor: | Glucan endo-1,3-beta-D-glucosidase, SODIUM ION | Authors: | Wojtkowiak, A, Witek, K, Hennig, J, Jaskolski, M. | Deposit date: | 2011-11-21 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Two high-resolution structures of potato endo-1,3-beta-glucanase reveal subdomain flexibility with implications for substrate binding Acta Crystallogr.,Sect.D, 68, 2012
|
|
6S2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s2t by Molmil](/molmil-images/mine/6s2t) | |
1XBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xbd by Molmil](/molmil-images/mine/1xbd) | INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI XYLANASE D, NMR, 5 STRUCTURES | Descriptor: | XYLANASE D | Authors: | Simpson, P.J, Bolam, D.N, Cooper, A, Ciruela, A, Hazlewood, G.P, Gilbert, H.J, Williamson, M.P. | Deposit date: | 1998-10-16 | Release date: | 1999-07-21 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | A family IIb xylan-binding domain has a similar secondary structure to a homologous family IIa cellulose-binding domain but different ligand specificity. Structure Fold.Des., 7, 1999
|
|
2C9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2c9y by Molmil](/molmil-images/mine/2c9y) | Structure of human adenylate kinase 2 | Descriptor: | 1,2-ETHANEDIOL, ADENYLATE KINASE ISOENZYME 2, MITOCHONDRIAL, ... | Authors: | Bunkoczi, G, Filippakopoulos, P, Debreczeni, J.E, Turnbull, A, Papagrigoriou, E, Savitsky, P, Colebrook, S, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | Deposit date: | 2005-12-15 | Release date: | 2006-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Human Adenylate Kinase 2 To be Published
|
|
2NYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nyu by Molmil](/molmil-images/mine/2nyu) | Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with S-adenosylmethionine | Descriptor: | Putative ribosomal RNA methyltransferase 2, S-ADENOSYLMETHIONINE | Authors: | Dong, A, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-21 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The Crystal Structure of Human FtsJ homolog 2 (E.coli) protein in complex with AdoMet To be Published
|
|
2O5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o5c by Molmil](/molmil-images/mine/2o5c) | Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 5.5 | Descriptor: | 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ... | Authors: | Changela, A, DiGate, R.J, Mondragon, A. | Deposit date: | 2006-12-05 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate. J.Mol.Biol., 368, 2007
|
|
1ZE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ze8 by Molmil](/molmil-images/mine/1ze8) | Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor | Descriptor: | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase II, ... | Authors: | Menchise, V, De Simone, G, Alterio, V, Di Fiore, A, Pedone, C, Scozzafava, A, Supuran, C.T. | Deposit date: | 2005-04-18 | Release date: | 2005-10-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II J.Med.Chem., 48, 2005
|
|
1ZLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zlp by Molmil](/molmil-images/mine/1zlp) | Petal death protein PSR132 with cysteine-linked glutaraldehyde forming a thiohemiacetal adduct | Descriptor: | 5-HYDROXYPENTANAL, MAGNESIUM ION, petal death protein | Authors: | Teplyakov, A, Liu, S, Lu, Z, Howard, A, Dunaway-Mariano, D, Herzberg, O. | Deposit date: | 2005-05-08 | Release date: | 2006-01-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Petal Death Protein from Carnation Flower. Biochemistry, 44, 2005
|
|
4H4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h4r by Molmil](/molmil-images/mine/4h4r) | Crystal Structure of Ferredoxin reductase, BphA4 E175C/Q177G mutant (oxidized form) | Descriptor: | Biphenyl dioxygenase ferredoxin reductase subunit, FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, ... | Authors: | Nishizawa, A, Harada, A, Senda, M, Tachihara, Y, Muramatsu, D, Kishigami, S, Mori, S, Sugiyama, K, Senda, T, Kimura, S. | Deposit date: | 2012-09-18 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Random Mutagenesis with the Project Assessment for Complete Conversion of Co-Factor Specificity of a Ferredoxin Reductase BphA4 To be Published
|
|
4HDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hdi by Molmil](/molmil-images/mine/4hdi) | Crystal Structure of 3E5 IgG3 FAB from mus musculus | Descriptor: | Ig heavy chain V region RF, Ig gamma-3 chain C region, Kappa light chain variable region, ... | Authors: | Janda, A, Eryilmaz, E, Kim, J, Cordero, R.J.B, Cowburn, D, Casadevall, A. | Deposit date: | 2012-10-02 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Global structures of IgG isotypes expressing identical variable regions. Mol.Immunol., 56, 2013
|
|