2PUM
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![BU of 2pum by Molmil](/molmil-images/mine/2pum) | Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CATECHOL, ... | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2007-05-09 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution To be Published
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3LXS
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2JJ1
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![BU of 2jj1 by Molmil](/molmil-images/mine/2jj1) | The Structure of F1-ATPase inhibited by piceatannol. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE GAMMA CHAIN, ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, ... | Authors: | Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2007-07-03 | Release date: | 2007-08-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols. Proc.Natl.Acad.Sci.USA, 104, 2007
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3MI5
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![BU of 3mi5 by Molmil](/molmil-images/mine/3mi5) | |
2GVD
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6HJ2
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1DMH
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![BU of 1dmh by Molmil](/molmil-images/mine/1dmh) | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND 4-METHYLCATECHOL | Descriptor: | 4-METHYLCATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ... | Authors: | Vetting, M.W, Ohlendorf, D.H. | Deposit date: | 1999-12-14 | Release date: | 2000-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker. Structure Fold.Des., 8, 2000
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1E37
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![BU of 1e37 by Molmil](/molmil-images/mine/1e37) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 1 MINUTE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | Deposit date: | 2000-06-06 | Release date: | 2000-10-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Biochem.J., 351, 2000
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1E38
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![BU of 1e38 by Molmil](/molmil-images/mine/1e38) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 2 MINUTES | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | Deposit date: | 2000-06-06 | Release date: | 2000-10-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Biochem.J., 351, 2000
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1E36
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![BU of 1e36 by Molmil](/molmil-images/mine/1e36) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | Deposit date: | 2000-06-06 | Release date: | 2000-10-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Biochem.J., 351, 2000
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1DLT
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![BU of 1dlt by Molmil](/molmil-images/mine/1dlt) | STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND CATECHOL | Descriptor: | CATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ... | Authors: | Vetting, M.W, Ohlendorf, D.H. | Deposit date: | 1999-12-12 | Release date: | 2000-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.8 A crystal structure of catechol 1,2-dioxygenase reveals a novel hydrophobic helical zipper as a subunit linker. Structure Fold.Des., 8, 2000
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3OTH
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![BU of 3oth by Molmil](/molmil-images/mine/3oth) | Crystal Structure of CalG1, Calicheamicin Glycostyltransferase, TDP and calicheamicin alpha3I bound form | Descriptor: | CalG1, Calicheamicin alpha3I, THYMIDINE-5'-DIPHOSPHATE | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2010-09-11 | Release date: | 2010-12-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity. Proc.Natl.Acad.Sci.USA, 108, 2011
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7YCD
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![BU of 7ycd by Molmil](/molmil-images/mine/7ycd) | HYDROXYNITRILE LYASE FROM THE MILLIPEDE, Oxidus gracilis bound with (R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, Hydroxynitrile lyase, SULFATE ION | Authors: | Chaikaew, S, Watanabe, Y, Zheng, D, Motojima, F, Asano, Y. | Deposit date: | 2022-07-01 | Release date: | 2024-01-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Based Site-Directed Mutagenesis of Hydroxynitrile Lyase from Cyanogenic Millipede, Oxidus gracilis for Hydrocyanation and Henry Reactions. Chembiochem, 25, 2024
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5DQ5
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![BU of 5dq5 by Molmil](/molmil-images/mine/5dq5) | Endothiapepsin in complex with fragment 209 | Descriptor: | 3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine, ACETATE ION, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-09-14 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library to be published
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5DPZ
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![BU of 5dpz by Molmil](/molmil-images/mine/5dpz) | Endothiapepsin in complex with fragment 31 | Descriptor: | 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | Deposit date: | 2015-09-14 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.328 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5DR7
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![BU of 5dr7 by Molmil](/molmil-images/mine/5dr7) | Endothiapepsin in complex with fragment 311 | Descriptor: | (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one, ACETATE ION, Endothiapepsin, ... | Authors: | Heine, A, Schiebel, J, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.234 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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8AP0
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![BU of 8ap0 by Molmil](/molmil-images/mine/8ap0) | ForT Mutant T138V | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid, Beta-ribofuranosylaminobenzene 5'-phosphate synthase, ... | Authors: | Li, W, Naismith, J.H. | Deposit date: | 2022-08-09 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase. Open Biology, 13, 2023
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8AOZ
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![BU of 8aoz by Molmil](/molmil-images/mine/8aoz) | ForT Mutant L24A | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid, Beta-ribofuranosylaminobenzene 5'-phosphate synthase, ... | Authors: | Li, W, Naismith, J.H. | Deposit date: | 2022-08-09 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase. Open Biology, 13, 2023
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4HD8
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![BU of 4hd8 by Molmil](/molmil-images/mine/4hd8) | Crystal structure of human Sirt3 in complex with Fluor-de-Lys peptide and piceatannol | Descriptor: | Fluor-de-Lys peptide, ISOPROPYL ALCOHOL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Nguyen, G.T.T, Gertz, M, Steegborn, C. | Deposit date: | 2012-10-02 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A molecular mechanism for direct sirtuin activation by resveratrol. Plos One, 7, 2012
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4DVF
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![BU of 4dvf by Molmil](/molmil-images/mine/4dvf) | Crystal structure of BACE1 with its inhibitor | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | Authors: | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | Deposit date: | 2012-02-23 | Release date: | 2013-01-16 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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2BUQ
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![BU of 2buq by Molmil](/molmil-images/mine/2buq) | Crystal Structure Of Wild-Type Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 in Complex with Catechol | Descriptor: | CATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ... | Authors: | Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 2005-06-17 | Release date: | 2006-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase Annu.Rev.Microbiol., 58, 2004
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2BUY
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![BU of 2buy by Molmil](/molmil-images/mine/2buy) | Crystal Structure of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R133H in Complex with Catechol | Descriptor: | CATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ... | Authors: | Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 2005-06-20 | Release date: | 2006-10-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Studies of Intradiol Dioxygenases. Phd Thesis, 2001
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2W4H
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![BU of 2w4h by Molmil](/molmil-images/mine/2w4h) | Isometrically contracting insect asynchronous flight muscle quick frozen after a quick release step | Descriptor: | MYOSIN HEAVY CHAIN, SKELETAL MUSCLE, ADULT, ... | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | Deposit date: | 2008-11-25 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation. Plos One, 7, 2012
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2DDY
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![BU of 2ddy by Molmil](/molmil-images/mine/2ddy) | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | Descriptor: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ... | Authors: | Zheng, X.H, Ou, L. | Deposit date: | 2006-02-06 | Release date: | 2007-02-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor to be published
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2EHZ
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![BU of 2ehz by Molmil](/molmil-images/mine/2ehz) | Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 4-methylcatechol | Descriptor: | 1,2-ETHANEDIOL, 1,2-dihydroxynaphthalene dioxygenase, 4-METHYLCATECHOL, ... | Authors: | Neau, D.B, Kelker, M.S, Colbert, C.L, Bolin, J.T. | Deposit date: | 2007-03-10 | Release date: | 2008-02-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites To be Published
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