3U16
 
 | | Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid. | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ... | | Authors: | Gulick, A.M, Drake, E.J, Aldrich, C.C, Neres, J. | | Deposit date: | 2011-09-29 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii.
J.Med.Chem., 56, 2013
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5ZMC
 | | Structural Basis for Reactivation of -146C>T Mutant TERT Promoter by cooperative binding of p52 and ETS1/2 | | Descriptor: | DNA (5'-D(P*CP*GP*GP*GP*GP*AP*CP*CP*CP*GP*GP*AP*AP*GP*GP*G)-3'), DNA (5'-D(P*GP*CP*CP*CP*TP*TP*CP*CP*GP*GP*GP*TP*CP*CP*CP*C)-3'), Nuclear factor NF-kappa-B p100 subunit, ... | | Authors: | Xu, X, Bharath, S.R, Song, H. | | Deposit date: | 2018-04-02 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis for reactivating the mutant TERT promoter by cooperative binding of p52 and ETS1.
Nat Commun, 9, 2018
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4J7H
 | | Crystal structure of EvaA, a 2,3-dehydratase in complex with dTDP-benzene and dTDP-rhamnose | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, ... | | Authors: | Holden, H.M, Kubiak, R.L, Thoden, J.B. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-22 | | Last modified: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure of EvaA: A Paradigm for Sugar 2,3-Dehydratases.
Biochemistry, 52, 2013
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1T0M
 | | Conformational switch in polymorphic H-2K molecules containing an HSV peptide | | Descriptor: | Beta-2-microglobulin, Glycoprotein B, H-2 class I histocompatibility antigen, ... | | Authors: | Webb, A.I, Borg, N.A, Dunstone, M.A, Kjer-Nielsen, L, Beddoe, T, McCluskey, J, Carbone, F.R, Bottomley, S.P, Purcell, A.W, Rossjohn, J. | | Deposit date: | 2004-04-12 | | Release date: | 2004-11-23 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of H-2K(b) and K(bm8) complexed to a herpes simplex virus determinant: evidence for a conformational switch that governs T cell repertoire selection and viral resistance.
J Immunol., 173, 2004
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1N8C
 | | Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex | | Descriptor: | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*AP*CP*GP*AP*GP*G)-3' | | Authors: | Volk, D.E, Thiviyanathan, V, Rice, J.S, Luxon, B.A, Shah, J.H, Yagi, H, Sayer, J.M, Yeh, H.J.C, Jerina, D.M, Gorenstein, D.G. | | Deposit date: | 2002-11-20 | | Release date: | 2003-02-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex
Biochemistry, 42, 2003
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4B6W
 | | Architecture of Trypanosoma brucei Tubulin-Binding cofactor B | | Descriptor: | 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE | | Authors: | Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N. | | Deposit date: | 2012-08-15 | | Release date: | 2012-08-22 | | Last modified: | 2013-07-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
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3CUK
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1ZJ2
 | | Crystal Structure of Human Galactosyltransferase (GTB) Complexed with H type I Trisaccharide | | Descriptor: | ABO blood group (transferase A, alpha 1-3-N-acetylgalactosaminyltransferase; transferase B, alpha 1-3-galactosyltransferase), ... | | Authors: | Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V. | | Deposit date: | 2005-04-27 | | Release date: | 2005-12-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006
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4B31
 | | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-07-20 | | Release date: | 2013-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Investigating the Active Centre of the Scytalidium Thermophilum Catalase
Acta Crystallogr.,Sect.F, 69, 2013
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2KLR
 | | Solid-state NMR structure of the alpha-crystallin domain in alphaB-crystallin oligomers | | Descriptor: | Alpha-crystallin B chain | | Authors: | Jehle, S, Rajagopal, P, Markovic, S, Bardiaux, B, Kuehne, R, Higman, V.A, Klevit, R.E, van Rossum, B, Oschkinat, H. | | Deposit date: | 2009-07-08 | | Release date: | 2010-07-07 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Solid-state NMR and SAXS studies provide a structural basis for the activation of alphaB-crystallin oligomers.
Nat.Struct.Mol.Biol., 17, 2010
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3RMK
 | | Toluene 4 monooxygenase H with 4-bromophenol | | Descriptor: | 4-BROMOPHENOL, CALCIUM ION, FE (III) ION, ... | | Authors: | Bailey, L.J, McCoy, J.G, Phillips Jr, G.N, Fox, B.G. | | Deposit date: | 2011-04-21 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase.
Biochemistry, 51, 2012
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4HVS
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4B2Y
 | | Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum | | Descriptor: | CALCIUM ION, CATALASE-PHENOL OXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yuzugullu, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J. | | Deposit date: | 2012-07-19 | | Release date: | 2013-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Investigating the Active Centre of the Scytalidium Thermophilum Catalase
Acta Crystallogr.,Sect.F, 69, 2013
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1R34
 | | Golgi alpha-mannosidase II complex with 5-thio-D-mannopyranosylamidinium salt | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine, ... | | Authors: | Kuntz, D.A, Xin, W, Kavelekar, L.M, Rose, D.R, Pinto, B.M. | | Deposit date: | 2003-09-30 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 5-Thio-d-glycopyranosylamines and their amidinium salts as potential transition-state mimics of glycosyl hydrolases: synthesis, enzyme inhibitory activities, X-ray crystallography, and molecular modeling
TETRAHEDRON ASYMMETRY, 16, 2005
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254D
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275D
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2BN1
 | | Insulin after a high dose x-ray burn | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | | Authors: | Nanao, M.H, Ravelli, R.B. | | Deposit date: | 2005-03-18 | | Release date: | 2005-09-07 | | Last modified: | 2013-04-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
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2H02
 | | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | | Descriptor: | Protein tyrosine phosphatase, receptor type, B,, ... | | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R. | | Deposit date: | 2006-05-13 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Bioorg.Med.Chem.Lett., 16, 2006
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2CST
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5A8M
 | | Crystal structure of the selenomethionine derivative of beta-glucanase SdGluc5_26A from Saccharophagus degradans | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | | Deposit date: | 2015-07-16 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
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6DUG
 | | Crystal structure of HIV-1 reverse transcriptase K101P mutant in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-06-20 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.225 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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3F7I
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2008-11-09 | | Release date: | 2009-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
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1YN3
 | | Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens | | Descriptor: | truncated cell surface protein map-w | | Authors: | Geisbrecht, B.V, Hamaoka, B.Y, Perman, B, Zemla, A, Leahy, D.J. | | Deposit date: | 2005-01-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Crystal Structures of EAP Domains from Staphylococcus aureus Reveal an Unexpected Homology to Bacterial Superantigens.
J.Biol.Chem., 280, 2005
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4MGW
 | | Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence | | Descriptor: | ClC containing Dickerson-Drew dodecamer, MAGNESIUM ION | | Authors: | Theruvathu, J.A, Whitney, Y, Montgomery Pettitt, B, Sowers, L.C. | | Deposit date: | 2013-08-29 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence.
Biochemistry, 52, 2013
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3F7H
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2008-11-09 | | Release date: | 2009-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold
J.Med.Chem., 52, 2009
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