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3KSD
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BU of 3ksd by Molmil
Crystal Structure of C151S+H178N mutant of Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH1) from Staphylococcus aureus MRSA252 complexed with NAD at 2.2 angstrom resolution
分子名称: Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
登録日2009-11-22
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
5HSH
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BU of 5hsh by Molmil
Crystal structure of the G291R mutant of human phosphoglucomutase 1
分子名称: Phosphoglucomutase-1, SULFATE ION
著者Stiers, K.M, Beamer, L.J.
登録日2016-01-25
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Induced Structural Disorder as a Molecular Mechanism for Enzyme Dysfunction in Phosphoglucomutase 1 Deficiency.
J.Mol.Biol., 428, 2016
6ALZ
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BU of 6alz by Molmil
Crystal structure of Protein Phosphatase 1 bound to the natural inhibitor Tautomycetin
分子名称: (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2017-08-08
公開日2017-11-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献PP1:Tautomycetin Complex Reveals a Path toward the Development of PP1-Specific Inhibitors.
J. Am. Chem. Soc., 139, 2017
6H13
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BU of 6h13 by Molmil
Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Coquelle, N, Colletier, J.P.
登録日2018-07-10
公開日2019-05-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
4P2M
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BU of 4p2m by Molmil
Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 1
分子名称: Adenylate cyclase, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K.
登録日2014-03-04
公開日2014-09-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献New structural forms of a mycobacterial adenylyl cyclase Rv1625c.
Iucrj, 1, 2014
6AT8
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BU of 6at8 by Molmil
1.1 Angstrom Resolution Structure of Human Cellular Retinol-Binding Protein IV
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Retinoid-binding protein 7
著者Silvaroli, J.A, Pleshinger, M.J, Kiser, P.D, Golczak, M.
登録日2017-08-28
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.105 Å)
主引用文献1.1 Angstrom Resolution Structure of Human Cellular Retinol-Binding Protein IV
To Be Published
6F35
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BU of 6f35 by Molmil
Crystal structure of the aspartate aminotranferase from Rhizobium meliloti
分子名称: ACETATE ION, Aspartate aminotransferase B, GLYCEROL, ...
著者Cobessi, D, Graindorge, M, Giustini, C, Matringe, M.
登録日2017-11-28
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase.
Febs J., 286, 2019
5NGL
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BU of 5ngl by Molmil
The endo-beta1,6-glucanase BT3312
分子名称: Glucosylceramidase, SODIUM ION, beta-D-glucopyranose-(1-6)-1-DEOXYNOJIRIMYCIN
著者Basle, A, Temple, M, Cuskin, F, Lowe, E, Gilbert, H.
登録日2017-03-17
公開日2017-05-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Bacteroidetes locus dedicated to fungal 1,6-beta-glucan degradation: Unique substrate conformation drives specificity of the key endo-1,6-beta-glucanase.
J. Biol. Chem., 292, 2017
5NMB
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BU of 5nmb by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-04-05
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
6B4O
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BU of 6b4o by Molmil
1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, ...
著者Minasov, G, Warwzak, Z, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-09-27
公開日2017-10-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献1.73 Angstrom Resolution Crystal Structure of Glutathione Reductase from Enterococcus faecalis in Complex with FAD.
To Be Published
6H70
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BU of 6h70 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-62 and 2-fucosyllactose (2FL)
分子名称: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-62, ...
著者Kilic, T, Hansman, G.S.
登録日2018-07-30
公開日2018-12-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
3L6O
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BU of 3l6o by Molmil
Crystal Structure of Phosphate bound apo Glyceraldehyde-3-phosphate dehydrogenase 1 from MRSA252 at 2.2 Angstrom resolution
分子名称: Glyceraldehyde-3-phosphate dehydrogenase 1, PHOSPHATE ION
著者Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
登録日2009-12-23
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
5XDQ
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BU of 5xdq by Molmil
Bovine heart cytochrome c oxidase in the fully oxidized state with pH 7.3 at 1.77 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
登録日2017-03-29
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of bovine cytochrome c oxidase crystallized at a neutral pH using a fluorinated detergent.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6FFM
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BU of 6ffm by Molmil
Crystal Structure of Human KEAP1 BTB Domain in Complex with isoxazoline-based inhibitor
分子名称: Kelch-like ECH-associated protein 1, ~{N}-[4-[(5~{R})-4,5-dihydro-1,2-oxazol-5-yl]phenyl]ethanamide
著者Moniot, S, Steegborn, C.
登録日2018-01-08
公開日2018-11-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effects of 3-Bromo-4,5-dihydroisoxazole Derivatives on Nrf2 Activation and Heme Oxygenase-1 Expression.
ChemistryOpen, 7, 2018
8AB2
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BU of 8ab2 by Molmil
Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in its apo form.
分子名称: 1,2-ETHANEDIOL, L-lactate dehydrogenase, TERBIUM(III) ION, ...
著者Robin, A.Y, Girard, E, Madern, D.
登録日2022-07-04
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery.
Mol.Biol.Evol., 40, 2023
5NMA
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BU of 5nma by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
分子名称: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N, Belorusova, A.Y.
登録日2017-04-05
公開日2017-05-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
3ENK
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BU of 3enk by Molmil
1.9A crystal structure of udp-glucose 4-epimerase from burkholderia pseudomallei
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-25
公開日2008-10-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9A crystal structure of udp-glucose 4-epimerase from burkholderia pseudomallei
To be Published
3LVF
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BU of 3lvf by Molmil
Crystal Structure of holo Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH1) from methicillin resistant Staphylococcus aureus MRSA252 at 1.7 Angstrom resolution
分子名称: Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
登録日2010-02-19
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase 1 from Methicillin-Resistant Staphylococcus aureus MRSA252 Provides Novel Insights into Substrate Binding and Catalytic Mechanism.
J.Mol.Biol., 2010
7A1Q
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BU of 7a1q by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
分子名称: 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-08-13
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7Y3F
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BU of 7y3f by Molmil
Structure of the Anabaena PSI-monomer-IsiA supercomplex
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Nagao, R, Kato, K, Hamaguchi, T, Kawakami, K, Yonekura, K, Shen, J.R.
登録日2022-06-10
公開日2023-03-01
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Structure of a monomeric photosystem I core associated with iron-stress-induced-A proteins from Anabaena sp. PCC 7120.
Nat Commun, 14, 2023
5JCB
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BU of 5jcb by Molmil
Microtubule depolymerizing agent podophyllotoxin derivative YJTSF1
分子名称: (5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Guan, Z, Zhao, W, Yin, P.
登録日2016-04-14
公開日2017-09-27
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4 beta-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin.
ACS Chem. Biol., 12, 2017
5H6N
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BU of 5h6n by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form
分子名称: Pierisin-1
著者Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
登録日2016-11-14
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
5ZLZ
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BU of 5zlz by Molmil
Structure of tPA and PAI-1
分子名称: GLYCEROL, Plasminogen activator inhibitor 1, Tissue-type plasminogen activator
著者Min, L, Huang, M.
登録日2018-03-31
公開日2019-04-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.581 Å)
主引用文献Development of a PAI-1 trapping agent (PAItrap2) based on inactivated tPA-SPD and the crystal structure of PAItrap2 in complex with PAI-1
To Be Published
5EPS
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BU of 5eps by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED10
分子名称: 1-methyl-3,4-dihydroquinoxalin-2-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
7QSL
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BU of 7qsl by Molmil
Bovine complex I in lipid nanodisc, Active-apo
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022

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