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2PUM
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BU of 2pum by Molmil
Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CATECHOL, ...
著者Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-05-09
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
To be Published
3LXS
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BU of 3lxs by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (WRR483)
分子名称: (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID E, 1,2-ETHANEDIOL, Cruzain, ...
著者Kerr, I.D, Brinen, L.S.
登録日2010-02-25
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In vitro and in vivo studies of the trypanocidal properties of WRR-483 against Trypanosoma cruzi.
Plos Negl Trop Dis, 4, 2010
2JJ1
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BU of 2jj1 by Molmil
The Structure of F1-ATPase inhibited by piceatannol.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE GAMMA CHAIN, ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, ...
著者Gledhill, J.R, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
登録日2007-07-03
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism of Inhibition of Bovine F1-ATPase by Resveratrol and Related Polyphenols.
Proc.Natl.Acad.Sci.USA, 104, 2007
3MI5
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BU of 3mi5 by Molmil
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
分子名称: BETA-MERCAPTOETHANOL, CATECHOL, CHLORIDE ION, ...
著者Purpero, V.M, Lipscomb, J.D.
登録日2010-04-09
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
To be Published
2GVD
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BU of 2gvd by Molmil
Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With TNP-ATP and Mn
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, Adenylate cyclase type 5, ...
著者Mou, T.-C, Sprang, S.R.
登録日2006-05-02
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Broad specificity of Mammalian adenylyl cyclase for interaction with 2',3'-substituted purine- and pyrimidine nucleotide inhibitors.
Mol.Pharmacol., 70, 2006
6HJ2
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BU of 6hj2 by Molmil
Crystal structure of hPXR in complex with dabrafenib
分子名称: Dabrafenib, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
著者Granell, M, Delfosse, V, Bourguet, W.
登録日2018-08-31
公開日2020-03-25
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding.
J.Med.Chem., 65, 2022
1DMH
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BU of 1dmh by Molmil
STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND 4-METHYLCATECHOL
分子名称: 4-METHYLCATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ...
著者Vetting, M.W, Ohlendorf, D.H.
登録日1999-12-14
公開日2000-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
1E37
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BU of 1e37 by Molmil
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
分子名称: (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
著者Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
登録日2000-06-06
公開日2000-10-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
1E38
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BU of 1e38 by Molmil
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
分子名称: (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
著者Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
登録日2000-06-06
公開日2000-10-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
1E36
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BU of 1e36 by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
分子名称: (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
著者Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
登録日2000-06-06
公開日2000-10-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
1DLT
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BU of 1dlt by Molmil
STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND CATECHOL
分子名称: CATECHOL, CATECHOL 1,2-DIOXYGENASE, FE (III) ION, ...
著者Vetting, M.W, Ohlendorf, D.H.
登録日1999-12-12
公開日2000-05-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3OTH
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BU of 3oth by Molmil
Crystal Structure of CalG1, Calicheamicin Glycostyltransferase, TDP and calicheamicin alpha3I bound form
分子名称: CalG1, Calicheamicin alpha3I, THYMIDINE-5'-DIPHOSPHATE
著者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)
登録日2010-09-11
公開日2010-12-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity.
Proc.Natl.Acad.Sci.USA, 108, 2011
7YCD
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BU of 7ycd by Molmil
HYDROXYNITRILE LYASE FROM THE MILLIPEDE, Oxidus gracilis bound with (R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE
分子名称: (2R)-hydroxy(phenyl)ethanenitrile, Hydroxynitrile lyase, SULFATE ION
著者Chaikaew, S, Watanabe, Y, Zheng, D, Motojima, F, Asano, Y.
登録日2022-07-01
公開日2024-01-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Site-Directed Mutagenesis of Hydroxynitrile Lyase from Cyanogenic Millipede, Oxidus gracilis for Hydrocyanation and Henry Reactions.
Chembiochem, 25, 2024
5DQ5
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BU of 5dq5 by Molmil
Endothiapepsin in complex with fragment 209
分子名称: 3-[2-(4-methyl-1,2-oxazol-3-yl)ethyl]pyridine, ACETATE ION, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
5DPZ
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BU of 5dpz by Molmil
Endothiapepsin in complex with fragment 31
分子名称: 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G.
登録日2015-09-14
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.328 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5DR7
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BU of 5dr7 by Molmil
Endothiapepsin in complex with fragment 311
分子名称: (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one, ACETATE ION, Endothiapepsin, ...
著者Heine, A, Schiebel, J, Klebe, G.
登録日2015-09-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.234 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8AP0
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BU of 8ap0 by Molmil
ForT Mutant T138V
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid, Beta-ribofuranosylaminobenzene 5'-phosphate synthase, ...
著者Li, W, Naismith, J.H.
登録日2022-08-09
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase.
Open Biology, 13, 2023
8AOZ
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BU of 8aoz by Molmil
ForT Mutant L24A
分子名称: 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, ...
著者Li, W, Naismith, J.H.
登録日2022-08-09
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase.
Open Biology, 13, 2023
4HD8
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BU of 4hd8 by Molmil
Crystal structure of human Sirt3 in complex with Fluor-de-Lys peptide and piceatannol
分子名称: Fluor-de-Lys peptide, ISOPROPYL ALCOHOL, NAD-dependent protein deacetylase sirtuin-3, ...
著者Nguyen, G.T.T, Gertz, M, Steegborn, C.
登録日2012-10-02
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A molecular mechanism for direct sirtuin activation by resveratrol.
Plos One, 7, 2012
4DVF
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BU of 4dvf by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: 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
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献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
2BUQ
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BU of 2buq by Molmil
Crystal Structure Of Wild-Type Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 in Complex with Catechol
分子名称: CATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-17
公開日2006-09-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase
Annu.Rev.Microbiol., 58, 2004
2BUY
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BU of 2buy by Molmil
Crystal Structure of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R133H in Complex with Catechol
分子名称: CATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-20
公開日2006-10-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Studies of Intradiol Dioxygenases.
Phd Thesis, 2001
2W4H
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BU of 2w4h by Molmil
Isometrically contracting insect asynchronous flight muscle quick frozen after a quick release step
分子名称: MYOSIN HEAVY CHAIN, SKELETAL MUSCLE, ADULT, ...
著者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.
登録日2008-11-25
公開日2010-08-25
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (35 Å)
主引用文献Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
2DDY
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BU of 2ddy by Molmil
Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
分子名称: (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ...
著者Zheng, X.H, Ou, L.
登録日2006-02-06
公開日2007-02-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor
to be published
2EHZ
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BU of 2ehz by Molmil
Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 4-methylcatechol
分子名称: 1,2-ETHANEDIOL, 1,2-dihydroxynaphthalene dioxygenase, 4-METHYLCATECHOL, ...
著者Neau, D.B, Kelker, M.S, Colbert, C.L, Bolin, J.T.
登録日2007-03-10
公開日2008-02-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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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