1CE2
 
 | | STRUCTURE OF DIFERRIC BUFFALO LACTOFERRIN AT 2.5A RESOLUTION | | Descriptor: | CARBONATE ION, FE (III) ION, PROTEIN (LACTOFERRIN) | | Authors: | Karthikeyan, S, Paramasivam, M, Yadav, S, Srinivasan, A, Singh, T.P. | | Deposit date: | 1999-03-13 | | Release date: | 1999-03-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of buffalo lactoferrin at 2.5 A resolution using crystals grown at 303 K shows different orientations of the N and C lobes.
Acta Crystallogr.,Sect.D, 55, 1999
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1FUI
 | | L-FUCOSE ISOMERASE FROM ESCHERICHIA COLI | | Descriptor: | FUCITOL, L-FUCOSE ISOMERASE, MANGANESE (II) ION, ... | | Authors: | Seemann, J.E, Schulz, G.E. | | Deposit date: | 1997-04-14 | | Release date: | 1997-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of L-fucose isomerase from Escherichia coli.
J.Mol.Biol., 273, 1997
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7TAA
 | | FAMILY 13 ALPHA AMYLASE IN COMPLEX WITH ACARBOSE | | Descriptor: | CALCIUM ION, MODIFIED ACARBOSE HEXASACCHARIDE, TAKA AMYLASE | | Authors: | Davies, G.J, Brzozowski, A.M. | | Deposit date: | 1997-10-06 | | Release date: | 1998-11-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of the Aspergillus oryzae alpha-amylase complexed with the inhibitor acarbose at 2.0 A resolution.
Biochemistry, 36, 1997
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3VTI
 | | Crystal structure of HypE-HypF complex | | Descriptor: | FE (III) ION, Hydrogenase maturation factor, MAGNESIUM ION, ... | | Authors: | Shomura, Y, Higuchi, Y. | | Deposit date: | 2012-05-30 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural basis for the reaction mechanism of S-carbamoylation of HypE by HypF in the maturation of [NiFe]-hydrogenases
J.Biol.Chem., 287, 2012
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5A80
 | | Crystal structure of human JMJD2A in complex with compound 40 | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-11 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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1MPC
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3UDR
 | | Crystal Structure of BACE with Compound 14 | | Descriptor: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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8P1Z
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8P1Y
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4INK
 | | Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution | | Descriptor: | Serine protease SplD | | Authors: | Zdzalik, M, Kalinska, M, Cichon, P, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | | Deposit date: | 2013-01-04 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus.
Plos One, 8, 2013
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2BEB
 | | X-ray structure of Asn to Thr mutant of Winged Bean Chymotrypsin inhibitor | | Descriptor: | Chymotrypsin inhibitor 3 | | Authors: | Dattagupta, J.K, Sen, U, Dasgupta, J, Khamrui, S. | | Deposit date: | 2005-10-24 | | Release date: | 2006-06-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Spacer Asn Determines the Fate of Kunitz (STI) Inhibitors, as Revealed by Structural and Biochemical Studies on WCI Mutants.
Biochemistry, 45, 2006
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1IL0
 | | X-RAY CRYSTAL STRUCTURE OF THE E170Q MUTANT OF HUMAN L-3-HYDROXYACYL-COA DEHYDROGENASE | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, ACETOACETYL-COENZYME A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J. | | Deposit date: | 2001-05-07 | | Release date: | 2001-11-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Glutamate 170 of human l-3-hydroxyacyl-CoA dehydrogenase is required for proper orientation of the catalytic histidine and structural integrity of the enzyme.
J.Biol.Chem., 276, 2001
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3ZQR
 | | NMePheB25 insulin analogue crystal structure | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | | Deposit date: | 2011-06-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface.
J.Biol.Chem., 286, 2011
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3ZCH
 | | Ascorbate peroxidase W41A-H42M mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ... | | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2012-11-20 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the Conformational Mobility of the Active Site of Ascorbate Peroxidase
Dalton Trans, 42, 2013
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1IW0
 | | Crystal structure of a heme oxygenase (HmuO) from Corynebacterium diphtheriae complexed with heme in the ferric state | | Descriptor: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Hirotsu, S, Unno, M, Chu, G.C, Lee, D.S, Park, S.Y, Shiro, Y, Ikeda-Saito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-04-04 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The crystal structures of the ferric and ferrous forms of the heme complex of HmuO, a heme oxygenase of Corynebacterium diphtheriae.
J.Biol.Chem., 279, 2004
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6TBF
 | | Structure of a beta galactosidase with inhibitor | | Descriptor: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | | Authors: | Offen, W, Davies, G. | | Deposit date: | 2019-11-01 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
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5INT
 | | Crystal structure of the C-terminal Domain of Coenzyme A biosynthesis bifunctional protein CoaBC | | Descriptor: | Phosphopantothenate--cysteine ligase | | Authors: | Nocek, B, Zhou, M, Grimshaw, S, Kim, Y, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-03-07 | | Release date: | 2016-04-06 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the C-terminal Domain of Coenzyme A biosynthesis bifunctional protein CoaBC
To Be Published
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1IW1
 | | Crystal structure of a heme oxygenase (HmuO) from Corynebacterium diphtheriae complexed with heme in the ferrous state | | Descriptor: | Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Hirotsu, S, Unno, M, Chu, G.C, Lee, D.S, Park, S.Y, Shiro, Y, Ikeda-Saito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-04-04 | | Release date: | 2003-04-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structures of the ferric and ferrous forms of the heme complex of HmuO, a heme oxygenase of Corynebacterium diphtheriae.
J.Biol.Chem., 279, 2004
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5I1Q
 | | Second bromodomain of TAF1 bound to a pyrrolopyridone compound | | Descriptor: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1 | | Authors: | Tang, Y, Poy, F, Bellon, S.F. | | Deposit date: | 2016-01-09 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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6TBI
 | | Structure of a beta galactosidase with inhibitor | | Descriptor: | (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | | Authors: | Offen, W, Davies, G. | | Deposit date: | 2019-11-01 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
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2ZR3
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7Z9G
 | | E.coli gyrase holocomplex with 217 bp DNA and Albi-2 | | Descriptor: | 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | | Authors: | Ghilarov, D, Heddle, J.G.H. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
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7Z9M
 | | E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA) | | Descriptor: | 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | | Authors: | Ghilarov, D, Heddle, J.G.H. | | Deposit date: | 2022-03-21 | | Release date: | 2023-02-15 | | Last modified: | 2023-07-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
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3MLB
 | | BaNadD in complex with inhibitor 1_02_1 | | Descriptor: | 4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide], FORMIC ACID, POTASSIUM ION, ... | | Authors: | Huang, N, Zhang, H, Eyobo, Y. | | Deposit date: | 2010-04-16 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.
J.Med.Chem., 53, 2010
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7EIV
 | | heterotetrameric glycyl-tRNA synthetase from Escherichia coli | | Descriptor: | GLYCINE, Glycine--tRNA ligase alpha subunit, Glycine--tRNA ligase beta subunit, ... | | Authors: | Ju, Y, Zhou, H. | | Deposit date: | 2021-03-31 | | Release date: | 2021-08-11 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | X-shaped structure of bacterial heterotetrameric tRNA synthetase suggests cryptic prokaryote functions and a rationale for synthetase classifications.
Nucleic Acids Res., 49, 2021
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