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5C04
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BU of 5c04 by Molmil
Crystal structure of the F37H mutant AhpE from Mycobacterium tuberculosis
分子名称: Putative peroxiredoxin MT2298
著者Pallo, A, Dufe, V.T, Messens, J.
登録日2015-06-12
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
7ZAS
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BU of 7zas by Molmil
Crystal structure of cleaved Iripin-4 serpin from tick Ixodes ricinus
分子名称: CHLORIDE ION, Iripin-4 serpin
著者Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
登録日2022-03-22
公開日2023-03-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
1H22
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BU of 1h22 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution
分子名称: (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
登録日2002-07-30
公開日2002-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
5MPR
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BU of 5mpr by Molmil
Single Amino Acid Variant of Human Mitochondrial Branched Chain Amino Acid Aminotransferase 2
分子名称: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
著者Hakansson, M, Walse, B, Nilsson, C, Anderson, L.C.
登録日2016-12-18
公開日2017-07-19
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Intact Protein Analysis at 21 Tesla and X-Ray Crystallography Define Structural Differences in Single Amino Acid Variants of Human Mitochondrial Branched-Chain Amino Acid Aminotransferase 2 (BCAT2).
J. Am. Soc. Mass Spectrom., 28, 2017
6I1A
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BU of 6i1a by Molmil
Crystal structure of rutinosidase from Aspergillus niger
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase
著者Pachl, P, Rezacova, P, Kapesova, J.
登録日2018-10-28
公開日2020-01-29
最終更新日2020-08-12
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity.
Febs J., 287, 2020
1VH0
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BU of 1vh0 by Molmil
Crystal structure of a hypothetical protein
分子名称: Hypothetical UPF0247 protein SAV0024/SA0023
著者Structural GenomiX
登録日2003-11-03
公開日2003-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
8E0G
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BU of 8e0g by Molmil
Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
著者Munro, T.A.
登録日2022-08-09
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72.
Bmc Biol., 21, 2023
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
分子名称: (S)-hydroxynitrile lyase
著者Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
登録日2022-10-19
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献to be published
To Be Published
4JFA
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BU of 4jfa by Molmil
Crystal Structure of Plasmodium falciparum Tryptophanyl-tRNA synthetase
分子名称: BETA-MERCAPTOETHANOL, POTASSIUM ION, TRYPTOPHAN, ...
著者Khan, S, Garg, A, Manickam, Y, Sharma, A.
登録日2013-02-28
公開日2014-01-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An appended domain results in an unusual architecture for malaria parasite tryptophanyl-tRNA synthetase
Plos One, 8, 2013
1H23
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BU of 1h23 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution
分子名称: (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L.
登録日2002-07-30
公開日2002-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
5DQF
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BU of 5dqf by Molmil
Horse Serum Albumin (ESA) in complex with Cetirizine
分子名称: (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid, CHLORIDE ION, ...
著者Handing, K.B, Shabalin, I.G, Majorek, K.A, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2015-09-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of equine serum albumin in complex with cetirizine reveals a novel drug binding site.
Mol.Immunol., 71, 2016
5DOW
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BU of 5dow by Molmil
Solution of the Variably-Twinned Structure of a Novel Calmodulin-Peptide Complex in a Novel Configuration
分子名称: CALCIUM ION, CHLORIDE ION, Calmodulin, ...
著者Keller, J.P.
登録日2015-09-11
公開日2016-08-10
最終更新日2017-01-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Solution of the structure of a calmodulin-peptide complex in a novel configuration from a variably twinned data set.
Acta Crystallogr D Struct Biol, 73, 2017
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
5AZE
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BU of 5aze by Molmil
Fab fragment of calcium-dependent antigen binding antibody, 6RL#9
分子名称: 6RL#9 FAB HEAVY CHAIN, 6RL#9 FAB LIGHT CHAIN, CALCIUM ION
著者Kadono, S, Hironiwa, N, Ishii, S, Igawa, T, Hattori, K.
登録日2015-10-02
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Calcium-dependent antigen binding as a novel modality for antibody recycling by endosomal antigen dissociation
Mabs, 8, 2016
5BKL
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BU of 5bkl by Molmil
Crystallographic structure of the cubic crystal form of STMV (77.9 degree rotation) grown from NaCl
分子名称: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
著者McPherson, A.
登録日2021-03-20
公開日2021-12-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7ZBF
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BU of 7zbf by Molmil
Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus
分子名称: Iripin-4 serpin, NICKEL (II) ION
著者Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
登録日2022-03-23
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
1XGE
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BU of 1xge by Molmil
Dihydroorotase from Escherichia coli: Loop Movement and Cooperativity between subunits
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ...
著者Lee, M, Chan, C.W, Guss, J.M, Christopherson, R.I, Maher, M.J.
登録日2004-09-17
公開日2005-04-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dihydroorotase from Escherichia coli: Loop Movement and Cooperativity between Subunits
J.Mol.Biol., 348, 2005
7A58
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BU of 7a58 by Molmil
NOE-only solution structure of the Iron-Sulfur protein PioC from Rhodopseudomonas palustris TIE-1
分子名称: IRON/SULFUR CLUSTER, PioC
著者Cantini, F, Trindade, I.
登録日2020-08-20
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献PRE-driven protein NMR structures: an alternative approach in highly paramagnetic systems.
Febs J., 288, 2021
7TTZ
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BU of 7ttz by Molmil
Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7
分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S.
登録日2022-02-02
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
6FCB
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BU of 6fcb by Molmil
Human Methionine Adenosyltransferase II mutant (P115G)
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
登録日2017-12-20
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
2WTM
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BU of 2wtm by Molmil
Est1E from Butyrivibrio proteoclasticus
分子名称: EST1E, GLYCEROL, PHOSPHATE ION
著者Goldstone, D.C, Arcus, V.L.
登録日2009-09-17
公開日2010-01-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
2WTN
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BU of 2wtn by Molmil
Ferulic Acid bound to Est1E from Butyrivibrio proteoclasticus
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, EST1E, GLYCEROL, ...
著者Goldstone, D.C, Arcus, V.L.
登録日2009-09-17
公開日2010-01-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Functional Characterization of a Promiscuous Feruloyl Esterase (Est1E) from the Rumen Bacterium Butyrivibrio Proteoclasticus.
Proteins, 78, 2010
6FBP
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BU of 6fbp by Molmil
Human Methionine Adenosyltransferase II mutant (S114A) in P22121 crystal form
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
登録日2017-12-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
5NPU
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BU of 5npu by Molmil
Inferred ancestral pyruvate decarboxylase
分子名称: ANC27, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
登録日2017-04-19
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6FBN
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BU of 6fbn by Molmil
Human Methionine Adenosyltransferase II mutant (Q113A)
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
登録日2017-12-19
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019

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