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7UWG
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BU of 7uwg by Molmil
The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir)
分子名称: HEXAETHYLENE GLYCOL, Molecular chaperone Tir, SULFATE ION
著者Manik, M.K, Nanson, J.D, Ve, T, Kobe, B.
登録日2022-05-03
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
5NUL
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BU of 5nul by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-20
公開日1997-03-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
6NUL
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BU of 6nul by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: N137A REDUCED (150K)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1997-01-09
公開日1997-03-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
1UXY
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BU of 1uxy by Molmil
MURB MUTANT WITH SER 229 REPLACED BY ALA, COMPLEX WITH ENOLPYRUVYL-UDP-N-ACETYLGLUCOSAMINE
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
著者Benson, T.E, Walsh, C.T, Hogle, J.M.
登録日1996-11-08
公開日1997-04-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution.
Biochemistry, 36, 1997
8B1Y
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BU of 8b1y by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF A 5-AZAINDAZOLE INHIBITOR
分子名称: 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Giovannoni, P, Gerace, A.
登録日2022-09-12
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGO
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Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
5CZB
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HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
分子名称: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Pierra, C, Dousson, C, Augustin, M.
登録日2015-07-31
公開日2016-06-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
8B49
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BU of 8b49 by Molmil
STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT (m-toluoylcarbonyl group) OF A 5-AZAINDOLE INHIBITOR
分子名称: 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Giovannoni, P, Gerace, A.
登録日2022-09-20
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
8B53
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Structure of porcine pancreatic elastase bound to a fragment of a 4-azaindole inhibitor
分子名称: 3-methylbenzoic acid, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Gerace, A.
登録日2022-09-21
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
2MP8
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BU of 2mp8 by Molmil
NMR structure of NKR-5-3B
分子名称: NKR-5-3B
著者Rosengren, K.J, Craik, D.J.
登録日2014-05-13
公開日2015-05-13
最終更新日2016-06-01
実験手法SOLUTION NMR
主引用文献Identification, Characterization, and Three-Dimensional Structure of the Novel Circular Bacteriocin, Enterocin NKR-5-3B, from Enterococcus faecium
Biochemistry, 54, 2015
2FDX
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BU of 2fdx by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT N137A OXIDIZED
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-24
公開日1997-04-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
2FAX
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BU of 2fax by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: N137A OXIDIZED (150K)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-24
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
2FLV
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CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T REDUCED (150K)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-19
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
2FOX
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BU of 2fox by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: SEMIQUINONE
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1997-01-08
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
2FVX
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CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T REDUCED (277K)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-19
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
7LD0
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BU of 7ld0 by Molmil
Cryo-EM structure of ligand-free Human SARM1
分子名称: NAD(+) hydrolase SARM1
著者Nanson, J.D, Gu, W, Luo, Z, Jia, X, Landsberg, M.J, Kobe, B, Ve, T.
登録日2021-01-12
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7LCY
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BU of 7lcy by Molmil
Crystal structure of the ligand-free ARM domain from Drosophila SARM1
分子名称: Isoform B of NAD(+) hydrolase sarm1
著者Gu, W, Nanson, J.D, Luo, Z, McGuinness, H.Y, Manik, M.K, Jia, X, Ve, T, Kobe, B.
登録日2021-01-12
公開日2021-03-10
最終更新日2021-04-21
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7LCZ
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Crystal structure of the ARM domain from Drosophila SARM1 in complex with NMN
分子名称: 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Isoform B of NAD(+) hydrolase sarm1, ...
著者Gu, W, Nanson, J.D, Luo, Z, Jia, X, Manik, M.K, Ve, T, Kobe, B.
登録日2021-01-12
公開日2021-03-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
3BW7
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Maize cytokinin oxidase/dehydrogenase complexed with the allenic cytokinin analog HA-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ...
著者Briozzo, P, Kopecny, D.
登録日2008-01-08
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism-based inhibitors of cytokinin oxidase/dehydrogenase attack FAD cofactor
J.Mol.Biol., 380, 2008
3C0P
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BU of 3c0p by Molmil
Maize cytokinin oxidase/dehydrogenase complexed with the allenic cytokinin analog HA-8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ...
著者Briozzo, P, Kopecny, D.
登録日2008-01-21
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism-based inhibitors of cytokinin oxidase/dehydrogenase attack FAD cofactor
J.Mol.Biol., 380, 2008
4NUL
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CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: D58P OXIDIZED
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-13
公開日1997-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
4NLL
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BU of 4nll by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57D OXIDIZED
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-16
公開日1997-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997

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