5CIC
 
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5THI
 | | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | | Authors: | Dick, B, Cohen, S. | | Deposit date: | 2016-09-29 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
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4IRO
 | | Crystal structure of T-state carbonmonoxy hemoglobin from Trematomus bernacchii at pH 8.4 | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Merlino, A, Balsamo, A, Mazzarella, L, Vergara, A. | | Deposit date: | 2013-01-15 | | Release date: | 2013-02-20 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of tertiary structures on the Root effect in fish hemoglobins.
Biochim.Biophys.Acta, 1834, 2013
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5TI0
 | | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G | | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Dick, B, Cohen, S. | | Deposit date: | 2016-09-30 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
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3SDP
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1N2V
 | | Crystal Structure of TGT in complex with 2-Butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione | | Descriptor: | 2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE, Queuine tRNA-ribosyltransferase, ZINC ION | | Authors: | Brenk, R, Naerum, L, Graedler, U, Gerber, H.-D, Garcia, G.A, Reuter, K, Stubbs, M.T, Klebe, G. | | Deposit date: | 2002-10-24 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis
J.Med.Chem., 46, 2003
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1REK
 | | Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 8 | | Descriptor: | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE, PENTANAL, cAMP-dependent protein kinase, ... | | Authors: | Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2003-11-06 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
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8GT6
 | | human STING With agonist HB3089 | | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
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1RPS
 | | Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin. Hemoglobin exposed to NO under anerobic conditions | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, NITRIC OXIDE, ... | | Authors: | Chan, N.-L, Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2003-12-03 | | Release date: | 2003-12-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin.
Biochemistry, 43, 2004
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8GSZ
 | | Structure of STING SAVI-related mutant V147L | | Descriptor: | Stimulator of interferon genes protein | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
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1B56
 | | HUMAN RECOMBINANT EPIDERMAL FATTY ACID BINDING PROTEIN | | Descriptor: | FATTY ACID BINDING PROTEIN, PALMITIC ACID | | Authors: | Van Tilbeurgh, H, Hohoff, C, Borchers, T, Spener, F. | | Deposit date: | 1999-01-12 | | Release date: | 1999-10-05 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Expression, purification, and crystal structure determination of recombinant human epidermal-type fatty acid binding protein.
Biochemistry, 38, 1999
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4IWZ
 | | structure of hCAII in complex with an acetazolamide derivative | | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Biswas, S, McKenna, R. | | Deposit date: | 2013-01-24 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII.
Bioorg.Med.Chem.Lett., 23, 2013
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4J1A
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7P2T
 | | Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative | | Descriptor: | 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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7P2U
 | | Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | | Descriptor: | 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
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3BIG
 | | Crystal structure of the fructose-1,6-bisphosphatase GlpX from E.coli in complex with inorganic phosphate | | Descriptor: | Fructose-1,6-bisphosphatase class II glpX, PHOSPHATE ION, UNKNOWN ATOM OR ION | | Authors: | Lunin, V.V, Skarina, T, Brown, G, Yakunin, A.F, Edwards, A.M, Savchenko, A. | | Deposit date: | 2007-11-30 | | Release date: | 2008-12-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli.
J.Biol.Chem., 284, 2009
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4AOE
 | | Biomphalaria glabrata Acetylcholine-binding protein type 2 (BgAChBP2) | | Descriptor: | ACETYLCHOLINE-BINDING PROTEIN TYPE 2 | | Authors: | Saur, M, Moeller, V, Kapetanopoulos, K, Braukmann, S, Gebauer, W, Tenzer, S, Markl, J. | | Deposit date: | 2012-03-26 | | Release date: | 2012-08-29 | | Last modified: | 2018-10-03 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Acetylcholine-Binding Protein in the Hemolymph of the Planorbid Snail Biomphalaria Glabrata is a Pentagonal Dodecahedron (60 Subunits)
Plos One, 7, 2012
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6RTH
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5CIB
 | | Complex of yeast cytochrome c peroxidase (W191G) bound to 2,4-dimethylaniline with iso-1 cytochrome c | | Descriptor: | 2,4-dimethylaniline, Cytochrome c iso-1, Cytochrome c peroxidase, ... | | Authors: | Crane, B.R, Payne, T.M. | | Deposit date: | 2015-07-11 | | Release date: | 2016-08-03 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (3.011 Å) | | Cite: | Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
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1L9D
 | | Role of Histidine 269 in Catalysis by Monomeric Sarcosine Oxidase | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Monomeric sarcosine oxidase, ... | | Authors: | Zhao, G, Song, H, Chen, Z.-w, Mathews, F.S, Jorns, M.S. | | Deposit date: | 2002-03-22 | | Release date: | 2002-08-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Monomeric sarcosine oxidase: role of histidine 269 in catalysis.
Biochemistry, 41, 2002
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5CIE
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4NK1
 | | Crystal structure of phosphate-bound Hell's gate globin IV | | Descriptor: | Hemoglobin-like protein, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jamil, F. | | Deposit date: | 2013-11-12 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of truncated haemoglobin from an extremely thermophilic and acidophilic bacterium.
J.Biochem., 156, 2014
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5GG4
 | | Crystal structure of USP7 with RNF169 peptide | | Descriptor: | Peptide from E3 ubiquitin-protein ligase RNF169, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Jiang, Y, Gong, Q. | | Deposit date: | 2016-06-15 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Dual-utility NLS drives RNF169-dependent DNA damage responses.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1QAO
 | | THE STRUCTURE OF THE RRNA METHYLTRANSFERASE ERMC': IMPLICATIONS FOR THE REACTION MECHANISM | | Descriptor: | ERMC' METHYLTRANSFERASE, S-ADENOSYLMETHIONINE | | Authors: | Schluckebier, G, Zhong, P, Stewart, K.D, Kavanaugh, T.J, Abad-Zapatero, C. | | Deposit date: | 1999-03-26 | | Release date: | 2000-03-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The 2.2 A structure of the rRNA methyltransferase ErmC' and its complexes with cofactor and cofactor analogs: implications for the reaction mechanism.
J.Mol.Biol., 289, 1999
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3PGH
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