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7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
分子名称: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
分子名称: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
著者Schenkmayerova, A, Janin, Y.L, Marek, M.
登録日2021-05-21
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
5ZLF
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BU of 5zlf by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629
分子名称: MAGNESIUM ION, Octaprenyl diphosphate synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
著者Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2018-03-27
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.845 Å)
主引用文献Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
5ZE6
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BU of 5ze6 by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981
分子名称: 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase
著者Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2018-02-26
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
2I6T
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BU of 2i6t by Molmil
Orthorhombic Structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A
分子名称: GLYCEROL, SULFATE ION, UBIQUITIN-CONJUGATING ENZYME E2-LIKE ISOFORM A
著者Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Tempel, W, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S.
登録日2006-08-29
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Investigation into the L-lactate Dehydrogenase Domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A
To be Published
6TY7
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BU of 6ty7 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Markova, K, Chaloupkova, R, Damborsky, J, Marek, M.
登録日2020-01-15
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
7E30
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BU of 7e30 by Molmil
Crystal structure of a novel alpha/beta hydrolase in apo form in complex with citrate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, SULFATE ION, ...
著者Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
登録日2021-02-07
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7E31
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BU of 7e31 by Molmil
Crystal structure of a novel alpha/beta hydrolase mutant in apo form
分子名称: TRIETHYLENE GLYCOL, alpha/beta hydrolase
著者Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
登録日2021-02-07
公開日2022-02-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
4RCG
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BU of 4rcg by Molmil
Crystal Structure Analysis of MTB PEPCK without Mn+2
分子名称: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Brynda, J, Dostal, J, Snasel, J, Fanfrlik, J, Pichova, I, Machova, I.
登録日2014-09-16
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.
Plos One, 10, 2015
3FLR
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BU of 3flr by Molmil
Crystal structure of native octameric SAP-like pentraxin from Limulus polyphemus
分子名称: CALCIUM ION, SAP-like pentraxin
著者Shrive, A.K, Greenhough, T.J, Armstrong, P.B.
登録日2008-12-19
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations.
J.Mol.Biol., 386, 2009
8OE6
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BU of 8oe6 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA231
分子名称: CHLORIDE ION, MAGNESIUM ION, Structure of hyperstable haloalkane dehalogenase variant DhaA231
著者Marek, M.
登録日2023-03-10
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Acs Catalysis, 13, 2023
8OE2
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BU of 8oe2 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA223
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Marek, M.
登録日2023-03-10
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Acs Catalysis, 13, 2023
3FLT
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BU of 3flt by Molmil
Crystal structure of PE-bound octameric SAP-like pentraxin from Limulus polyphemus
分子名称: CALCIUM ION, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, SAP-like pentraxin
著者Shrive, A.K, Greenhough, T.J, Armstrong, P.B.
登録日2008-12-19
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations.
J.Mol.Biol., 386, 2009
6WRT
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BU of 6wrt by Molmil
Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A/S158C variant bound to 3-nitro-tyrosine
分子名称: META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase
著者Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B.
登録日2020-04-30
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
3FLP
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BU of 3flp by Molmil
Crystal structure of native heptameric SAP-like pentraxin from Limulus polyphemus
分子名称: CALCIUM ION, SAP-like pentraxin
著者Shrive, A.K, Greenhough, T.J, Armstrong, P.B.
登録日2008-12-19
公開日2009-01-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations.
J.Mol.Biol., 386, 2009
6WRK
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BU of 6wrk by Molmil
Crystal structure of 3rd-generation Mj 3-nitro-tyrosine tRNA synthetase ("A7") bound to 3-nitro-tyrosine
分子名称: GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ...
著者Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B.
登録日2020-04-29
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
4R43
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BU of 4r43 by Molmil
Crystal Structure Analysis of MTB PEPCK
分子名称: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Brynda, J, Dostal, J, Pichova, I, Snasel, J, Fanfrlik, J, Machova, I.
登録日2014-08-19
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis.
Plos One, 10, 2015
6WRN
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BU of 6wrn by Molmil
Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A variant bound to 3-nitro-tyrosine
分子名称: META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase
著者Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B.
登録日2020-04-29
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
6WRQ
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BU of 6wrq by Molmil
Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) S158C variant bound to 3-nitro-tyrosine
分子名称: GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ...
著者Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B.
登録日2020-04-29
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
7MBK
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BU of 7mbk by Molmil
N-terminal domain of mouse surfactant protein B, 6W mutant
分子名称: Pulmonary surfactant-associated protein B
著者Milicic, G, Rapoport, T.A.
登録日2021-03-31
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Mechanism of Lamellar Body Formation by Lung Surfactant Protein B.
Mol.Cell, 81, 2021
4TOT
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BU of 4tot by Molmil
Crystal structure of rat cyclophilin D in complex with a potent nonimmunosuppressive inhibitor
分子名称: HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ...
著者Knapp, M.S, Elling, R.A.
登録日2014-06-06
公開日2014-11-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition.
J.Med.Chem., 57, 2014
7MBV
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BU of 7mbv by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
2M1D
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BU of 2m1d by Molmil
Biosynthetic engineered B28K-B29P human insulin monomer structure in in water/acetonitrile solutions.
分子名称: Insulin
著者Bocian, W, Kozerski, L.
登録日2012-11-26
公開日2013-02-27
最終更新日2013-05-22
実験手法SOLUTION NMR
主引用文献Biosynthetic engineered B28(K)-B29(P) human insulin monomer structure in water and in water/acetonitrile solutions.
J.Biomol.Nmr, 55, 2013
2M1E
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BU of 2m1e by Molmil
Biosynthetic engineered B28K-B29P human insulin monomer structure in in water solutions.
分子名称: Insulin
著者Bocian, W, Kozerski, L.
登録日2012-11-26
公開日2013-02-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Biosynthetic engineered B28(K)-B29(P) human insulin monomer structure in water and in water/acetonitrile solutions.
J.Biomol.Nmr, 55, 2013
2JV1
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BU of 2jv1 by Molmil
NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures
分子名称: Insulin
著者Bocian, W, Kozerski, L.
登録日2007-09-11
公開日2007-12-11
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structure of human insulin monomer in water/acetonitrile solution.
J.Biomol.Nmr, 40, 2008

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