5JVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jvi by Molmil](/molmil-images/mine/5jvi) | Thermolysin in complex with JC148. | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | Deposit date: | 2016-05-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. J. Med. Chem., 59, 2016
|
|
5JVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jvl by Molmil](/molmil-images/mine/5jvl) | C4-type pyruvate phospate dikinase: nucleotide binding domain with bound ATP analogue | Descriptor: | 2'-Bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ... | Authors: | Minges, A, Hoeppner, A, Groth, G. | Deposit date: | 2016-05-11 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase. Sci Rep, 7, 2017
|
|
1SBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sbg by Molmil](/molmil-images/mine/1sbg) | |
5K2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k2x by Molmil](/molmil-images/mine/5k2x) | Crystal structure of M. tuberculosis UspC (tetragonal crystal form) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | Authors: | Futterer, K, Fullam, E, Besra, G.S. | Deposit date: | 2016-05-19 | Release date: | 2016-06-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars. Open Biology, 6, 2016
|
|
1RZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rzf by Molmil](/molmil-images/mine/1rzf) | Crystal structure of Human anti-HIV-1 GP120-reactive antibody E51 | Descriptor: | Fab E51 heavy chain, Fab E51 light chain, GLYCEROL, ... | Authors: | Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D. | Deposit date: | 2003-12-24 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120 Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
5JEI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jei by Molmil](/molmil-images/mine/5jei) | Crystal structure of the GluA2 LBD in complex with FW | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ... | Authors: | Eibl, C, Salazar, H, Chebli, M, Plested, A.J.R. | Deposit date: | 2016-04-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.229 Å) | Cite: | Mechanism of partial agonism in AMPA-type glutamate receptors. Nat Commun, 8, 2017
|
|
1JYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jyw by Molmil](/molmil-images/mine/1jyw) | |
5JFD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jfd by Molmil](/molmil-images/mine/5jfd) | Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide | Descriptor: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Sandner, A, Heine, A, Klebe, G. | Deposit date: | 2016-04-19 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
|
|
1KJ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kj2 by Molmil](/molmil-images/mine/1kj2) | Murine Alloreactive ScFv TCR-Peptide-MHC Class I Molecule Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Allogeneic H-2Kb MHC Class I Molecule, Beta-2 microglobulin, ... | Authors: | Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D. | Deposit date: | 2001-12-04 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex. Immunity, 16, 2002
|
|
1KJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kjv by Molmil](/molmil-images/mine/1kjv) | TAP-B-associated rat MHC class I molecule | Descriptor: | Mature alpha chain of major histocompatibility complex class I antigen (HEAVY CHAIN), SULFATE ION, beta-2-microglobulin, ... | Authors: | Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A. | Deposit date: | 2001-12-05 | Release date: | 2002-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially
with peptide transporter alleles TAP-A and TAP-B. J.Mol.Biol., 324, 2002
|
|
1RXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rxd by Molmil](/molmil-images/mine/1rxd) | Crystal structure of human protein tyrosine phosphatase 4A1 | Descriptor: | protein tyrosine phosphatase type IVA, member 1; Protein tyrosine phosphatase IVA1 | Authors: | Sun, J.P, Fedorov, A.A, Almo, S.C, Zhang, Z.Y, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-12-18 | Release date: | 2004-12-28 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
|
|
1RXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rxs by Molmil](/molmil-images/mine/1rxs) | E. coli uridine phosphorylase: 2'-deoxyuridine phosphate complex | Descriptor: | 2'-DEOXYURIDINE, META VANADATE, PHOSPHATE ION, ... | Authors: | Caradoc-Davies, T.T, Cutfield, S.M, Lamont, I.L, Cutfield, J.F. | Deposit date: | 2003-12-18 | Release date: | 2004-04-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium J.Mol.Biol., 337, 2004
|
|
5JGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jgm by Molmil](/molmil-images/mine/5jgm) | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with ethyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2016-04-20 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Carbamate-protected lin-Benzoguanines as promising candidates for improving solubility and membrane permeability To be Published
|
|
5JHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jho by Molmil](/molmil-images/mine/5jho) | |
5JHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jhw by Molmil](/molmil-images/mine/5jhw) | |
5JIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jia by Molmil](/molmil-images/mine/5jia) | |
1KQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kqz by Molmil](/molmil-images/mine/1kqz) | Hevamine Mutant D125A/E127A/Y183F in Complex with Tetra-NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A | Authors: | Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 2002-01-08 | Release date: | 2002-01-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Expression and Characterization of Active Site Mutants of Hevamine, a
Chitinase from the Rubber Tree Hevea brasiliensis. Eur.J.Biochem., 269, 2002
|
|
5IZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5izv by Molmil](/molmil-images/mine/5izv) | Crystal structure of the legionella pneumophila effector protein RavZ - F222 | Descriptor: | Uncharacterized protein RavZ | Authors: | Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K. | Deposit date: | 2016-03-26 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.814 Å) | Cite: | The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane Autophagy, 13, 2017
|
|
1SA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sa5 by Molmil](/molmil-images/mine/1sa5) | Rat protein farnesyltransferase complexed with FPP and BMS-214662 | Descriptor: | 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | Authors: | Reid, T.S, Beese, L.S. | Deposit date: | 2004-02-06 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of the Anticancer Clinical Candidates R115777 (Tipifarnib) and BMS-214662 Complexed with Protein Farnesyltransferase Suggest a Mechanism of FTI Selectivity. Biochemistry, 43, 2004
|
|
1SB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sb6 by Molmil](/molmil-images/mine/1sb6) | Solution structure of a cyanobacterial copper metallochaperone, ScAtx1 | Descriptor: | copper chaperone ScAtx1 | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Su, X.C, Borrelly, G.P, Robinson, N.J, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-02-10 | Release date: | 2004-04-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structures of a Cyanobacterial Metallochaperone: INSIGHT INTO AN ATYPICAL COPPER-BINDING MOTIF. J.Biol.Chem., 279, 2004
|
|
1SD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sd3 by Molmil](/molmil-images/mine/1sd3) | |
1KEK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kek by Molmil](/molmil-images/mine/1kek) | Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase | Descriptor: | 2-ACETYL-THIAMINE DIPHOSPHATE, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Chabriere, E, Vernede, X, Guigliarelli, B, Charon, M.-H, Hatchikian, E.C, Fontecilla-Camps, J.C. | Deposit date: | 2001-11-16 | Release date: | 2001-12-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the free radical intermediate of pyruvate:ferredoxin oxidoreductase. Science, 294, 2001
|
|
1SD4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sd4 by Molmil](/molmil-images/mine/1sd4) | Crystal Structure of a SeMet derivative of BlaI at 2.0 A | Descriptor: | PENICILLINASE REPRESSOR, SULFATE ION | Authors: | Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L. | Deposit date: | 2004-02-13 | Release date: | 2004-08-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons J.Bacteriol., 187, 2005
|
|
5IW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5iw0 by Molmil](/molmil-images/mine/5iw0) | |
5J2S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j2s by Molmil](/molmil-images/mine/5j2s) | NKR-P1B from Rattus norvegicus | Descriptor: | Killer cell lectin-like receptor subfamily B member 1B allele A, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Skalova, T, Vanek, O, Blaha, J, Duskova, J, Hasek, J, Koval, T, Dohnalek, J. | Deposit date: | 2016-03-30 | Release date: | 2017-10-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of NKR-P1B from Rattus norvegicus To Be Published
|
|