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2WIK
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BU of 2wik by Molmil
NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
登録日2009-05-12
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
6E45
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BU of 6e45 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferrous state
分子名称: GLYCEROL, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3HT6
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BU of 3ht6 by Molmil
2-methylphenol in complex with T4 lysozyme L99A/M102Q
分子名称: Lysozyme, PHOSPHATE ION, o-cresol
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
7WY1
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BU of 7wy1 by Molmil
Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene
分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ...
著者Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O.
登録日2022-02-15
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
6JL1
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BU of 6jl1 by Molmil
Crystal structure of VvPlpA G389D from Vibrio vulnificus
分子名称: Thermolabile hemolysin
著者Ma, Q, Wan, Y, Liu, C.
登録日2019-03-03
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.
J.Biol.Chem., 294, 2019
6E0N
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BU of 6e0n by Molmil
Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with GTP and Apcpp
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-07-06
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
3HTD
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BU of 3htd by Molmil
(Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q
分子名称: (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
6E44
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BU of 6e44 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferric state
分子名称: Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5Z74
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BU of 5z74 by Molmil
Crystal structure of alkaline/neutral invertase InvB from Anabaena sp. PCC 7120 complexed with sucrose
分子名称: Alr0819 protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Xie, J, Hu, H.X, Cai, K, Yang, F, Jiang, Y.L, Chen, Y, Zhou, C.Z.
登録日2018-01-27
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and enzymatic analyses of Anabaena heterocyst-specific alkaline invertase InvB.
FEBS Lett., 592, 2018
7RKN
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BU of 7rkn by Molmil
Structure of CX3CL1-US28-Gi-scFv16 in OC-state
分子名称: Antibody fragment scFv16, Fractalkine, G-protein coupled receptor homolog US28, ...
著者Tsutsumi, N, Qu, Q, Jude, K.M, Skiniotis, G, Garcia, K.C.
登録日2021-07-22
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Atypical structural snapshots of human cytomegalovirus GPCR interactions with host G proteins
Sci Adv, 8, 2022
3HVV
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BU of 3hvv by Molmil
Escherichia coli Thiol peroxidase (Tpx) peroxidatic cysteine to serine mutant (C61S)
分子名称: Thiol peroxidase
著者Hall, A, Sankaran, B, Karplus, P.A.
登録日2009-06-16
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural changes common to catalysis in the Tpx peroxiredoxin subfamily.
J.Mol.Biol., 393, 2009
5ZI0
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BU of 5zi0 by Molmil
Ketoreductase LbCR mutant - M8
分子名称: 3-oxoacyl-acyl carrier protein reductase
著者Gong, X.M, Zheng, G.W, Xu, J.H.
登録日2018-03-14
公開日2019-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Development of an Engineered Ketoreductase with Simultaneously Improved Thermostability and Activity for Making a Bulky Atorvastatin Precursor
Acs Catalysis, 9, 2019
2H9J
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BU of 2h9j by Molmil
Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam
分子名称: 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II), CHLORIDE ION, Lysozyme C, ...
著者McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D.
登録日2006-06-10
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Configurations of nickel-cyclam antiviral complexes and protein recognition.
Chemistry, 13, 2007
7RRL
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BU of 7rrl by Molmil
Alternate Crystal Form of Human Malate Dehydrogenase I
分子名称: Malate dehydrogenase, cytoplasmic
著者McCue, W, Finzel, B.C.
登録日2021-08-09
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Studies to Enable Drug Discovery
Ph.D.Thesis,University of Minnesota, 2021
2H9K
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BU of 2h9k by Molmil
Structure of Hen egg white lysozyme soaked with Ni-cyclam
分子名称: CHLORIDE ION, Lysozyme C, NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE), ...
著者McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D.
登録日2006-06-10
公開日2007-04-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Configurations of nickel-cyclam antiviral complexes and protein recognition.
Chemistry, 13, 2007
7R76
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BU of 7r76 by Molmil
Cryo-EM structure of DNMT5 in apo state
分子名称: DNA repair protein Rad8, ZINC ION
著者Wang, J, Patel, D.J.
登録日2021-06-24
公開日2022-02-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into DNMT5-mediated ATP-dependent high-fidelity epigenome maintenance.
Mol.Cell, 82, 2022
6E46
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BU of 6e46 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferrous heme and tryptophan
分子名称: Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7RKF
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BU of 7rkf by Molmil
Structure of CX3CL1-US28-G11iN18-scFv16 in TL-state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody fragment scFv16, Fractalkine, ...
著者Tsutsumi, N, Maeda, S, Qu, Q, Skiniotis, G, Kobilka, B.K, Garcia, K.C.
登録日2021-07-22
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Atypical structural snapshots of human cytomegalovirus GPCR interactions with host G proteins
Sci Adv, 8, 2022
6E0L
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BU of 6e0l by Molmil
Structure of Rhodothermus marinus CdnE c-UMP-AMP synthase with Apcpp and Upnpp
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
著者Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-07-06
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
5ZJP
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BU of 5zjp by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae with N-acetylglucosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-acetyl-D-glucosamine-6-phosphate, ...
著者Manjunath, L, Guntupalli, S.R.
登録日2018-03-21
公開日2018-12-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
2X58
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BU of 2x58 by Molmil
The crystal structure of MFE1 liganded with CoA
分子名称: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, GLYCEROL, ...
著者Kasaragod, P, Venkatesan, R, Kiema, T.R, Hiltunen, J.K, Wierenga, R.K.
登録日2010-02-05
公開日2010-05-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of Liganded Rat Peroxisomal Multifunctional Enzyme Type 1: A Flexible Molecule with Two Interconnected Active Sites
J.Biol.Chem., 285, 2010
5Z9J
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BU of 5z9j by Molmil
Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Lu, M, Lin, L, Zhang, C, Chen, Y.
登録日2018-02-03
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases.
Chembiochem, 2020
2HAE
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BU of 2hae by Molmil
Crystal structure of a putative malic enzyme (malate oxidoreductase)
分子名称: Malate oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Seetharaman, J, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-06-12
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Crystal structure of a putative malic enzyme (malate oxidoreductase)
To be Published
2WM2
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BU of 2wm2 by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A IN COMPLEX WITH CHLORIDE
分子名称: 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, CHLORIDE ION, GLYCEROL, ...
著者Steiner, R.A.
登録日2009-06-29
公開日2010-01-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Proc.Natl.Acad.Sci.USA, 107, 2010
6C7N
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BU of 6c7n by Molmil
Monoclinic form of malic enzyme from sorghum at 2 angstroms resolution
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Malic enzyme, ...
著者Trajtenberg, F, Alvarez, C, Buschiazzo, A.
登録日2018-01-23
公開日2019-01-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular adaptations of NADP-malic enzyme for its function in C4photosynthesis in grasses.
Nat.Plants, 5, 2019

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