2VQU
 
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-03-18 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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8F1V
 | | A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation | | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ... | | Authors: | Ogbonna, E.N, Wilson, W.D. | | Deposit date: | 2022-11-06 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
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5YPW
 | | Crystal structure of IlvN.Val-1b | | Descriptor: | Acetolactate synthase isozyme 1 small subunit, VALINE | | Authors: | Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B. | | Deposit date: | 2017-11-03 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
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4C67
 | | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | | Descriptor: | 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C, Mirguet, O. | | Deposit date: | 2013-09-17 | | Release date: | 2013-10-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
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3DY4
 | | Crystal structure of yeast 20S proteasome in complex with spirolactacystin | | Descriptor: | Omuralide, open form, Proteasome component C1, ... | | Authors: | Groll, M, Balskus, E, Jacobsen, E. | | Deposit date: | 2008-07-25 | | Release date: | 2008-11-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural analysis of spiro beta-lactone proteasome inhibitors.
J.Am.Chem.Soc., 130, 2008
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2WC5
 | | Structure of BMori GOBP2 (General Odorant Binding Protein 2) | | Descriptor: | GENERAL ODORANT-BINDING PROTEIN 1, HEXADECA-10,12-DIEN-1-OL, MAGNESIUM ION | | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | | Deposit date: | 2009-03-09 | | Release date: | 2009-08-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
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7K3N
 | | Crystal Structure of NSP1 from SARS-CoV-2 | | Descriptor: | Host translation inhibitor nsp1 | | Authors: | Semper, C, Watanabe, N, Chang, C, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-11 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural characterization of nonstructural protein 1 from SARS-CoV-2.
Iscience, 24, 2021
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2VWS
 | | Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 | | Descriptor: | GLYCEROL, PHOSPHATE ION, YFAU, ... | | Authors: | Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I. | | Deposit date: | 2008-06-26 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008
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2BCQ
 | | DNA polymerase lambda in complex with a DNA duplex containing an unpaired Dtmp | | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*CP*AP*GP*TP*AP*CP*G)-3', 5'-D(*CP*GP*GP*CP*CP*GP*TP*TP*AP*CP*TP*G)-3', ... | | Authors: | Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Pedersen, L.C, Kunkel, T.A. | | Deposit date: | 2005-10-19 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural analysis of strand misalignment during DNA synthesis by a human DNA polymerase
Cell(Cambridge,Mass.), 124, 2006
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4RJ5
 | | EGFR kinase (T790M/L858R) with inhibitor compound 5 | | Descriptor: | Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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3JSI
 | | Human phosphodiesterase 9 in complex with inhibitor | | Descriptor: | 6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2009-09-10 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Identification of a Brain Penetrant PDE9A Inhibitor Utilizing Prospective Design and Chemical Enablement as a Rapid Lead Optimization Strategy.
J.Med.Chem., 52, 2009
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6T2O
 | | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16 | | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | | Deposit date: | 2019-10-09 | | Release date: | 2020-07-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
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6E1V
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 3: 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine | | Descriptor: | 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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5UAD
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2XRE
 | | Detection of cobalt in previously unassigned human SENP1 structure | | Descriptor: | COBALT (II) ION, GLYCEROL, SENTRIN-SPECIFIC PROTEASE 1 | | Authors: | Rimsa, V, Eadsforth, T, Hay, R.T, Hunter, W.N. | | Deposit date: | 2010-09-14 | | Release date: | 2010-10-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The Role of Co2+ in the Crystallization of Human Senp1 and Comments on the Limitations of Automated Refinement Protocols
Acta Crystallogr.,Sect.F, 67, 2011
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5JWZ
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5DD4
 | | Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, TRANSCRIPTIONAL REGULATOR AraR | | Authors: | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
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4BFU
 | | Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1c) and phosphate | | Descriptor: | N-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide, PANTOTHENATE KINASE, PHOSPHATE ION | | Authors: | Bjorkelid, C, Bergfors, T, Jones, T.A. | | Deposit date: | 2013-03-22 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank
J.Biol.Chem., 288, 2013
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4ZJP
 | | Structure of an ABC-Transporter Solute Binding Protein (SBP_IPR025997) from Actinobacillus Succinogenes (Asuc_0197, TARGET EFI-511067) with bound beta-D-ribopyranose | | Descriptor: | 1,2-ETHANEDIOL, Monosaccharide-transporting ATPase, beta-D-ribopyranose | | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Glenn, A.S, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2015-04-29 | | Release date: | 2015-05-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure of an ABC-Transporter Solute Binding Protein (SBP_IPR025997) from Actinobacillus Succinogenes (Asuc_0197, TARGET EFI-511067) with bound beta-D-ribopyranose
To be published
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3QHO
 | | Crystal analysis of the complex structure, Y299F-cellotetraose, of endocellulase from pyrococcus horikoshii | | Descriptor: | 458aa long hypothetical endo-1,4-beta-glucanase, PHOSPHATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Kim, H.-W, Ishikawa, K. | | Deposit date: | 2011-01-26 | | Release date: | 2012-02-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Functional analysis of hyperthermophilic endocellulase from Pyrococcus horikoshii by crystallographic snapshots
Biochem.J., 437, 2011
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5UCI
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
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5UEL
 | | Crystal structure of 354NC102 Fab | | Descriptor: | 354NC102 Fab Heavy Chain, 354NC102 Fab Light Chain, SULFATE ION | | Authors: | Sievers, S.A, Gristick, H.B, Bjorkman, P.J. | | Deposit date: | 2017-01-02 | | Release date: | 2017-02-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller.
Sci Transl Med, 9, 2017
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4F8X
 | | Penicillium canescens endo-1,4-beta-xylanase XylE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-1,4-beta-xylanase, beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Polyakov, K.M, Trofimov, A.A, Fedorova, T.V, Koroleva, O.V, Maisuradze, I.G, Chulkin, A.M, Vavilova, E.A, Benevolenskii, S.V. | | Deposit date: | 2012-05-18 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: |
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4B5W
 | | Crystal structures of divalent metal dependent pyruvate aldolase R70A mutant, HpaI, in complex with pyruvate | | Descriptor: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, CALCIUM ION, COBALT (II) ION, ... | | Authors: | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | Deposit date: | 2012-08-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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5S9G
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material | | Descriptor: | 1,3-benzothiazole-6-carboxylic acid, PH-interacting protein | | Authors: | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | Deposit date: | 2021-01-22 | | Release date: | 2021-02-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.091 Å) | | Cite: | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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