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6FXT
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BU of 6fxt by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Glc
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
登録日2018-03-09
公開日2018-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
7X12
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BU of 7x12 by Molmil
Crystal structure of ME1 in complex with NADPH
分子名称: MANGANESE (II) ION, NADP-dependent malic enzyme, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Amano, Y.
登録日2022-02-22
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
Biochemistry, 61, 2022
4RKA
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BU of 4rka by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347
分子名称: 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Ren, X, Zhu, J, Li, H.
登録日2014-10-12
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347
TO BE PUBLISHED
6HQP
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BU of 6hqp by Molmil
Crystal structure of GcoA F169V bound to guaiacol
分子名称: Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
6CHI
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BU of 6chi by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide
分子名称: 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E.
登録日2018-02-22
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
7X11
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BU of 7x11 by Molmil
Crystal structure of ME1 in complex with NADPH
分子名称: 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole, MANGANESE (II) ION, NADP-dependent malic enzyme, ...
著者Amano, Y.
登録日2022-02-22
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1.
Biochemistry, 61, 2022
7XK3
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BU of 7xk3 by Molmil
Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, state 1
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H.
登録日2022-04-19
公開日2022-07-20
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae.
Nat Commun, 13, 2022
5WQO
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BU of 5wqo by Molmil
Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I)
分子名称: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ...
著者Li, S, Wang, Y, Bartlam, M.
登録日2016-11-27
公開日2017-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1.
FEBS Lett., 591, 2017
4KH1
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BU of 4kh1 by Molmil
The R state structure of E. coli ATCase with CTP,UTP, and Magnesium bound
分子名称: Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R.
登録日2013-04-29
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 52, 2013
7XK6
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BU of 7xk6 by Molmil
Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, with aurachin D-42
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Aurachin D, CALCIUM ION, ...
著者Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H.
登録日2022-04-19
公開日2022-07-20
最終更新日2022-08-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae.
Nat Commun, 13, 2022
7R50
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BU of 7r50 by Molmil
Crystal structure of GMP reductase from mycobacterium smegmatis in complex with GMP.
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Inosine-5-monophosphate dehydrogenase guaB1
著者Dolezal, M, Klima, M, Pichova, I.
登録日2022-02-09
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The mycobacterial guaB1 gene encodes a guanosine 5'-monophosphate reductase with a cystathionine-beta-synthase domain.
Febs J., 289, 2022
2W8R
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BU of 2w8r by Molmil
The crystal structure of human SSADH in complex with NAD+
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SUCCINATE-SEMIALDEHYDE DEHYDROGENASE, ...
著者Kim, Y.-G, Kim, K.-J.
登録日2009-01-19
公開日2009-06-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Redox-Switch Modulation of Human Ssadh by Dynamic Catalytic Loop.
Embo J., 28, 2009
2W2L
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BU of 2w2l by Molmil
Crystal structure of the holo forms of Rhodotorula graminis D- mandelate dehydrogenase at 2.5A.
分子名称: D-MANDELATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Vachieri, S.G, Cole, A.R, Bagneris, C, Baker, D.P, Fewson, C.A, Basak, A.K.
登録日2008-11-02
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Apo and Holo Forms of Rhodotorula Graminis D(-)-Mandelate Dehydrogenase
To be Published
6GCS
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BU of 6gcs by Molmil
Cryo-EM structure of respiratory complex I from Yarrowia lipolytica
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 24-KDA SUBUNIT (NUHM), 30-KDA PROTEIN (NUGM), ...
著者Parey, K, Vonck, J.
登録日2018-04-19
公開日2018-10-10
最終更新日2021-06-02
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Cryo-EM structure of respiratory complex I at work.
Elife, 7, 2018
6GDT
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BU of 6gdt by Molmil
Crystal structure of exo-glucosidase/glucosaminidase VC0615 from Vibrio Cholerae
分子名称: 1,2-ETHANEDIOL, Endoglucanase-related protein
著者Wu, L, Davies, G.J.
登録日2018-04-24
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Structure of the GH9 glucosidase/glucosaminidase from Vibrio cholerae.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7XNA
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BU of 7xna by Molmil
Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806
分子名称: CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase
著者Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q.
登録日2022-04-28
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
3DMX
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BU of 3dmx by Molmil
Benzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 2-HYDROXYETHYL DISULFIDE, BENZENE, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding
J.Mol.Biol., 385, 2009
4KTK
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BU of 4ktk by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl)benzene-1,3-diol
分子名称: 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hudson, S.A.
登録日2013-05-20
公開日2013-07-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
Chemmedchem, 8, 2013
3DN3
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BU of 3dn3 by Molmil
Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
分子名称: 1,2,3,4,5-pentafluoro-6-iodobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ...
著者Liu, L, Matthews, B.W.
登録日2008-07-01
公開日2008-11-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
6G0N
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BU of 6g0n by Molmil
Crystal Structure of a GH8 catalytic mutant xylohexaose complex xylanase from Teredinibacter turnerae
分子名称: GLYCEROL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose, ...
著者Fowler, C.A, Davies, G.J, Walton, P.H.
登録日2018-03-19
公開日2018-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
3HT9
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BU of 3ht9 by Molmil
2-methoxyphenol in complex with T4 lysozyme L99A/M102Q
分子名称: BETA-MERCAPTOETHANOL, Guaiacol, 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 (2.02 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
2WAR
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BU of 2war by Molmil
Hen Egg White Lysozyme E35Q chitopentaose complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME C
著者Davies, G.J, Withers, S.G, Vocadlo, D.J.
登録日2009-02-13
公開日2010-02-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Chitopentaose Complex of a Mutant Hen Egg-White Lysozyme Displays No Distortion of the -1 Sugar Away from a 4C1 Chair Conformation
Aust.J.Chem., 62, 2009
4KMQ
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BU of 4kmq by Molmil
1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e
分子名称: Lmo2446 protein, MAGNESIUM ION
著者Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-05-08
公開日2013-05-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis.
Nat Microbiol, 2, 2016
6HQS
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BU of 6hqs by Molmil
Crystal structure of GcoA F169S bound to syringol
分子名称: 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
登録日2018-09-25
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Enabling microbial syringol conversion through structure-guided protein engineering.
Proc.Natl.Acad.Sci.USA, 116, 2019
5WQS
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BU of 5wqs by Molmil
Crystal structure of Apo Beta-Amylase from Sweet potato
分子名称: Beta-amylase, ISOPROPYL ALCOHOL
著者Vajravijayan, S, Sergei, P, Nandhagopal, N, Gunasekaran, K.
登録日2016-11-28
公開日2017-12-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights on starch hydrolysis by plant beta-amylase and its evolutionary relationship with bacterial enzymes
Int. J. Biol. Macromol., 113, 2018

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