3H4O
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3HCV
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![BU of 3hcv by Molmil](/molmil-images/mine/3hcv) | Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) | Descriptor: | Beta-2-microglobulin, DOUBLE CITRULLINATED VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR, HLA class I histocompatibility antigen, ... | Authors: | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | Deposit date: | 2009-05-06 | Release date: | 2009-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Citrullination-and mhc polymorphism-dependent conformational changes of
a self peptide To be Published
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3H6O
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![BU of 3h6o by Molmil](/molmil-images/mine/3h6o) | Activator-Bound Structure of Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ... | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-23 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2 to be published
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4O9D
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![BU of 4o9d by Molmil](/molmil-images/mine/4o9d) | Structure of Dos1 propeller | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Rik1-associated factor 1 | Authors: | Kuscu, C, Schalch, T, Joshua-Tor, L. | Deposit date: | 2014-01-02 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CRL4-like Clr4 complex in Schizosaccharomyces pombe depends on an exposed surface of Dos1 for heterochromatin silencing. Proc.Natl.Acad.Sci.USA, 111, 2014
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6Q1L
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![BU of 6q1l by Molmil](/molmil-images/mine/6q1l) | Crystal structure of oxidized iodotyrosine deiodinase (IYD) bound to FMN and 3-iodo-L-tyrosine | Descriptor: | 3-IODO-TYROSINE, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Sun, Z, Kavran, J.M, Rokita, S.E. | Deposit date: | 2019-08-05 | Release date: | 2021-04-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The minimal structure for iodotyrosine deiodinase function is defined by an outlier protein from the thermophilic bacterium Thermotoga neapolitana. J.Biol.Chem., 297, 2021
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3H8N
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![BU of 3h8n by Molmil](/molmil-images/mine/3h8n) | Crystal Structure Analysis of KIR2DS4 | Descriptor: | Killer cell immunoglobulin-like receptor 2DS4 | Authors: | Graef, T, Bushnell, D.A, Parham, P. | Deposit date: | 2009-04-29 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | KIR2DS4 is a product of gene conversion with KIR3DL2 that introduced specificity for HLA-A*11 while diminishing avidity for HLA-C. J.Exp.Med., 206, 2009
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4OBP
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![BU of 4obp by Molmil](/molmil-images/mine/4obp) | MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4OEL
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![BU of 4oel by Molmil](/molmil-images/mine/4oel) | Crystal structure of Cathepsin C in complex with dipeptide substrates | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl peptidase 1 Heavy chain, ... | Authors: | Zhao, B, Smallwood, A, Concha, N. | Deposit date: | 2014-01-13 | Release date: | 2015-03-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis. Biochemistry, 51, 2012
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4OF4
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![BU of 4of4 by Molmil](/molmil-images/mine/4of4) | X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.4 A resolution | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2014-01-14 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.4 A resolution To be Published
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3HEQ
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![BU of 3heq by Molmil](/molmil-images/mine/3heq) | Human prion protein variant D178N with M129 | Descriptor: | CADMIUM ION, Major prion protein | Authors: | Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C. | Deposit date: | 2009-05-10 | Release date: | 2010-01-12 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational diversity in prion protein variants influences intermolecular beta-sheet formation. Embo J., 29, 2010
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4ONR
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1W5U
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![BU of 1w5u by Molmil](/molmil-images/mine/1w5u) | GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE) | Descriptor: | CHLORIDE ION, ETHANOL, GRAMICIDIN D, ... | Authors: | Glowka, M.L, Olczak, A, Bojarska, J, Szczesio, M, Duax, W.L, Burkhart, B.M, Pangborn, W.A, Langs, D.A, Wawrzak, Z. | Deposit date: | 2004-08-10 | Release date: | 2005-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure of Gramicidin D-Rbcl Complex at Atomic Resolution from Low-Temperature Synchrotron Data: Interactions of Double-Stranded Gramicidin Channel Contents and Cations with Channel Wall Acta Crystallogr.,Sect.D, 61, 2005
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4OOB
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3HGG
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![BU of 3hgg by Molmil](/molmil-images/mine/3hgg) | Crystal Structure of CmeR Bound to Cholic Acid | Descriptor: | CHOLIC ACID, CmeR | Authors: | Routh, M.D, Yang, F. | Deposit date: | 2009-05-13 | Release date: | 2010-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural basis for anionic ligand recognition by multidrug
binding proteins: Crystal structures of CmeR-bile acid complexes To be Published
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1W3P
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![BU of 1w3p by Molmil](/molmil-images/mine/1w3p) | NimA from D. radiodurans with a His71-Pyruvate residue | Descriptor: | ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID | Authors: | Leiros, H.-K.S, Kozielski-Stuhrmann, S, Kapp, U, Terradot, L, Leonard, G.A, McSweeney, S.M. | Deposit date: | 2004-07-17 | Release date: | 2004-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of 5-Nitroimidazole Antibiotic Resistance: The Crystal Structure of Nima from Deinococcus Radiodurans J.Biol.Chem., 279, 2004
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3HHK
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![BU of 3hhk by Molmil](/molmil-images/mine/3hhk) | HCV NS5b polymerase complex with a substituted benzothiadizine | Descriptor: | 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase | Authors: | Concha, N.O, Singh, O. | Deposit date: | 2009-05-15 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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1W3Q
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![BU of 1w3q by Molmil](/molmil-images/mine/1w3q) | NimA from D. radiodurans with covalenly bound lactate | Descriptor: | ACETATE ION, LACTIC ACID, NIMA-RELATED PROTEIN | Authors: | Leiros, H.-K.S, Kozielski-Stuhrmann, S, Kapp, U, Terradot, L, Leonard, G.A, Mcsweeney, S.M. | Deposit date: | 2004-07-17 | Release date: | 2004-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Basis of 5-Nitroimidazole Antibiotic Resistance: The Crystal Structure of Nima from Deinococcus Radiodurans J.Biol.Chem., 279, 2004
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1WAW
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![BU of 1waw by Molmil](/molmil-images/mine/1waw) | Specificity and affinity of natural product cyclopentapeptide inhibitor Argadin against human chitinase | Descriptor: | ARGADIN, CHITOTRIOSIDASE 1, GLYCEROL, ... | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F. | Deposit date: | 2004-10-28 | Release date: | 2005-01-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases Chem.Biol., 12, 2005
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3HIQ
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3HGS
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![BU of 3hgs by Molmil](/molmil-images/mine/3hgs) | Crystal structure of tomato OPR3 in complex with pHB | Descriptor: | 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZOIC ACID | Authors: | Clausen, T, Breithaupt, C. | Deposit date: | 2009-05-14 | Release date: | 2009-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of substrate specificity of plant 12-oxophytodienoate reductases. J.Mol.Biol., 392, 2009
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3HIV
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![BU of 3hiv by Molmil](/molmil-images/mine/3hiv) | Crystal structure of Saporin-L1 in complex with the trinucleotide inhibitor, a transition state analogue | Descriptor: | (2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(3R,4R)-4-({[(S)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (S)-phosphate, Vacuolar saporin | Authors: | Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
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1VZW
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![BU of 1vzw by Molmil](/molmil-images/mine/1vzw) | Crystal structure of the bifunctional protein Pria | Descriptor: | GLYCEROL, PHOSPHORIBOSYL ISOMERASE A, SULFATE ION | Authors: | Kuper, J, Wilmanns, M. | Deposit date: | 2004-05-27 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two-Fold Repeated (Beta-Alpha)(4) Half-Barrels May Provide a Molecular Tool for Dual Substrate Specificity Embo Rep., 6, 2005
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4USU
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![BU of 4usu by Molmil](/molmil-images/mine/4usu) | Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate | Descriptor: | 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ... | Authors: | Kleinboelting, S, Steegborn, C. | Deposit date: | 2014-07-13 | Release date: | 2014-07-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution. FEBS J., 281, 2014
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1W15
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![BU of 1w15 by Molmil](/molmil-images/mine/1w15) | rat synaptotagmin 4 C2B domain in the presence of calcium | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | Deposit date: | 2004-06-16 | Release date: | 2004-08-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4 Nat.Struct.Mol.Biol., 11, 2004
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4OU4
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![BU of 4ou4 by Molmil](/molmil-images/mine/4ou4) | Crystal structure of esterase rPPE mutant S159A complexed with (S)-Ac-CPA | Descriptor: | (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein | Authors: | Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H. | Deposit date: | 2014-02-15 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition Biochem.Biophys.Res.Commun., 446, 2014
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