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1UUB
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Solution structure of a truncated bovine pancreatic trypsin inhibitor mutant, 3-58 BPTI (K15R, R17A, R42S)
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR
著者Zhang, W, Nielsen, C.B, Hansen, P.E.
登録日2003-12-17
公開日2004-01-29
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献NMR Solution Structures of Modified and Truncated Bovine Pancreatic Trypsin Inhibitor Proteins (3-58 Bpti'S)
To be Published
4ZJ1
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BU of 4zj1 by Molmil
Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli : V216AcrF mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase TEM, DI(HYDROXYETHYL)ETHER, ...
著者Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G.
登録日2015-04-28
公開日2015-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Exploring the potential impact of an expanded genetic code on protein function.
Proc.Natl.Acad.Sci.USA, 112, 2015
1UUA
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BU of 1uua by Molmil
Solution structure of a truncated bovine pancreatic trypsin inhibitor, 3-58 BPTI.
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR
著者Zhang, W, Nielsen, C.B, Hansen, P.E.
登録日2003-12-17
公開日2004-01-29
最終更新日2018-01-17
実験手法SOLUTION NMR
主引用文献NMR Solution Structures of Modifies and Truncated Bovine Pancreatic Trypsin Inhibitor Proteins (3-58 Bpti'S)
To be Published
2Y4Z
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BU of 2y4z by Molmil
Structure of the amino-terminal capsid restriction escape mutation N- MLV L10W
分子名称: CAPSID PROTEIN P30, GLYCEROL
著者Goldstone, D.C, Holden-Dye, K, Ohkura, S, Stoye, J.P, Taylor, I.A.
登録日2011-01-11
公開日2011-11-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Novel Escape Mutants Suggest an Extensive Trim5Alpha Binding Site Spanning the Entire Outer Surface of the Murine Leukemia Virus Capsid Protein.
Plos Pathog., 7, 2011
6L5G
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BU of 6l5g by Molmil
Crystal structure of yak lactoperoxidase with disordered heme moiety at 2.50 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Singh, P.K, Rani, C, Sharma, P, Sharma, S, Singh, T.P.
登録日2019-10-23
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
6I46
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BU of 6i46 by Molmil
Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
分子名称: (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
登録日2018-11-09
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
4PFM
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BU of 4pfm by Molmil
SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ...
著者Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A.
登録日2014-04-30
公開日2015-05-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.327 Å)
主引用文献Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS.
To Be Published
5G3T
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BU of 5g3t by Molmil
The structure of the L-tryptophan oxidase VioA from Chromobacterium violaceum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Krausze, J, Rabe, J, Moser, J.
登録日2016-05-01
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biosynthesis of Violacein: Structure and Function of L-Tryptophan Oxidase Vioa Chromobacterium Violaceum
J.Biol.Chem., 291, 2016
1YNU
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BU of 1ynu by Molmil
Crystal structure of apple ACC synthase in complex with L-vinylglycine
分子名称: 1-aminocyclopropane-1-carboxylate synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ...
著者Capitani, G, Tschopp, M, Eliot, A.C, Kirsch, J.F, Grutter, M.G.
登録日2005-01-25
公開日2005-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of ACC synthase inactivated by the mechanism-based inhibitor L-vinylglycine.
Febs Lett., 579, 2005
1PPI
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BU of 1ppi by Molmil
THE ACTIVE CENTER OF A MAMMALIAN ALPHA-AMYLASE. THE STRUCTURE OF THE COMPLEX OF A PANCREATIC ALPHA-AMYLASE WITH A CARBOHYDRATE INHIBITOR REFINED TO 2.2 ANGSTROMS RESOLUTION
分子名称: 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-beta-D-glucopyranose, ALPHA-AMYLASE, CALCIUM ION, ...
著者Qian, M, Haser, R, Payan, F.
登録日1994-02-22
公開日1995-05-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The active center of a mammalian alpha-amylase. Structure of the complex of a pancreatic alpha-amylase with a carbohydrate inhibitor refined to 2.2-A resolution.
Biochemistry, 33, 1994
7UZN
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BU of 7uzn by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP
分子名称: 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ...
著者Sheriff, S.
登録日2022-05-09
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.685 Å)
主引用文献Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
1JFH
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BU of 1jfh by Molmil
STRUCTURE OF A PANCREATIC ALPHA-AMYLASE BOUND TO A SUBSTRATE ANALOGUE AT 2.03 ANGSTROM RESOLUTION
分子名称: 4-S-methyl-4-thio-alpha-D-glucopyranose-(1-4)-methyl 4-thio-alpha-D-glucopyranoside, ALPHA-AMYLASE, CALCIUM ION, ...
著者Qian, M, Payan, F.
登録日1997-09-19
公開日1998-12-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure of a pancreatic alpha-amylase bound to a substrate analogue at 2.03 A resolution.
Protein Sci., 6, 1997
1QIX
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BU of 1qix by Molmil
Porcine pancreatic elastase complexed with human beta-casomorphin-7
分子名称: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE, ...
著者Wilmouth, R.C, Clifton, I.J, Hajdu, J, Schofield, C.J.
登録日1999-06-18
公開日1999-12-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase
Nat.Struct.Biol., 4, 1997
4LRA
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BU of 4lra by Molmil
Phosphopentomutase S154G variant
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4ZXX
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BU of 4zxx by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide
分子名称: CALCIUM ION, Coagulation factor VIIa heavy chain, Coagulation factor VIIa light chain, ...
著者Wei, A.
登録日2015-05-20
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of Macrocyclic Coagulation Factor VIIa Inhibitors.
J.Med.Chem., 58, 2015
4HKW
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Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with Substrate and Products
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endo-1,4-beta-xylanase 2, ...
著者Kovalevsky, A.Y, Wan, Q, Langan, P, Coates, L.
登録日2012-10-15
公開日2014-01-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
4LT4
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BU of 4lt4 by Molmil
Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ...
著者Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-07-23
公開日2013-08-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
To be Published
4LRC
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BU of 4lrc by Molmil
Phosphopentomutase V158L variant
分子名称: ACETATE ION, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LR7
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BU of 4lr7 by Molmil
Phosphopentomutase S154A variant
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LGY
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BU of 4lgy by Molmil
Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight from Xenon Trapping and Statistical Coupling Analysis
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Tanwar, A.S, Goyal, V.D, Choudhary, D, Panjikar, S, Anand, R.
登録日2013-06-30
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Importance of hydrophobic cavities in allosteric regulation of formylglycinamide synthetase: insight from xenon trapping and statistical coupling analysis
Plos One, 8, 2013
6Y2F
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Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Zhang, L, Lin, D, Sun, X, Hilgenfeld, R.
登録日2020-02-15
公開日2020-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
4LRB
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BU of 4lrb by Molmil
Phosphopentomutase S154G variant soaked with 2,3-dideoxyribose 5-phosphate
分子名称: 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, GLYCEROL, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LRO
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BU of 4lro by Molmil
Crystal structure of spermidine inhibited Ribosome inactivating protein from Momordica balsamina
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SPERMIDINE, ...
著者Yamini, S, Pandey, S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-07-20
公開日2013-08-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of spermidine inhibited Ribosome inactivating protein from Momordica balsamina
To be Published
4LWX
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Crystal structure of the complex of Ribosome inactivating protein from Momordica Balsamina with peptidoglycan fragment at 1.78 A resolution
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, ...
著者Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-07-29
公開日2013-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of the complex of Ribosome inactivating protein from Momordica Balsamina with peptidoglycan fragment at 1.78 A resolution
To be Published
1G4I
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Crystal structure of the bovine pancreatic phospholipase A2 at 0.97A
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Steiner, R.A, Rozeboom, H.J, de Vries, A, Kalk, K.H, Murshudov, G.N, Wilson, K.S, Dijkstra, B.W.
登録日2000-10-27
公開日2001-04-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献X-ray structure of bovine pancreatic phospholipase A2 at atomic resolution.
Acta Crystallogr.,Sect.D, 57, 2001

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