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3GCE
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BU of 3gce by Molmil
Ferredoxin of carbazole 1,9a-dioxygenase from Nocardioides aromaticivorans IC177
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of carbazole 1,9a-dioxygenase
Authors:Inoue, K, Nojiri, H.
Deposit date:2009-02-22
Release date:2009-09-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specific Interactions between the ferredoxin and terminal oxygenase components of a class IIB Rieske nonheme iron oxygenase, carbazole 1,9a-dioxygenase.
J.Mol.Biol., 392, 2009
3GCF
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BU of 3gcf by Molmil
Terminal oxygenase of carbazole 1,9a-dioxygenase from Nocardioides aromaticivorans IC177
Descriptor: CHLORIDE ION, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Inoue, K, Nojiri, H.
Deposit date:2009-02-22
Release date:2009-09-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Specific Interactions between the ferredoxin and terminal oxygenase components of a class IIB Rieske nonheme iron oxygenase, carbazole 1,9a-dioxygenase.
J.Mol.Biol., 392, 2009
3GKQ
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BU of 3gkq by Molmil
Terminal oxygenase of carbazole 1,9a-dioxygenase from Novosphingobium sp. KA1
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Terminal oxygenase component of carbazole 1,9a-dioxygenase
Authors:Umeda, T, Nojiri, H.
Deposit date:2009-03-11
Release date:2010-03-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Specific interaction via putidaredoxin-type ferredoxin in carbazole 1,9a-dioxygenase from Novosphingobium sp. KA1
To be Published
4ZK8
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BU of 4zk8 by Molmil
Copper-containing nitrite reductase from thermophilic bacterium Geobacillus thermodenitrificans (Re-refined)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Fukuda, Y, Inoue, T.
Deposit date:2015-04-30
Release date:2015-05-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural insights into the function of a thermostable copper-containing nitrite reductase
J.Biochem., 155, 2014
2D9S
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BU of 2d9s by Molmil
Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA
Descriptor: CBL E3 ubiquitin protein ligase
Authors:Hamada, T, Hirota, H, Lin, Y.-J, Guntert, P, Kurosaki, C, Izumi, K, Yoshida, M, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-13
Release date:2007-01-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA
To be Published
2REL
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BU of 2rel by Molmil
SOLUTION STRUCTURE OF R-ELAFIN, A SPECIFIC INHIBITOR OF ELASTASE, NMR, 11 STRUCTURES
Descriptor: R-ELAFIN
Authors:Francart, C, Dauchez, M, Alix, A.J.P, Lippens, G.
Deposit date:1997-04-01
Release date:1997-07-07
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of R-elafin, a specific inhibitor of elastase.
J.Mol.Biol., 268, 1997
3KKQ
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BU of 3kkq by Molmil
Crystal structure of M-Ras P40D in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein M-Ras
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
7L4U
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BU of 7l4u by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1h
Descriptor: (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, Monoglyceride lipase
Authors:Qin, L, Lane, W, Skene, R.J, Dougan, D.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L4W
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BU of 7l4w by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 2d
Descriptor: (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, Monoglyceride lipase
Authors:Qin, L, Gay, S.C, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L4T
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BU of 7l4t by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ...
Authors:Qin, L, Gay, S.C, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
7L50
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BU of 7l50 by Molmil
Crystal structure of human monoacylglycerol lipase in complex with compound 4f
Descriptor: (2s,4R)-2-{3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one, ACETATE ION, Monoglyceride lipase
Authors:Qin, L, Lane, W, Skene, R.J.
Deposit date:2020-12-21
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety.
J.Med.Chem., 64, 2021
1GD9
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BU of 1gd9 by Molmil
CRYSTALL STRUCTURE OF PYROCOCCUS PROTEIN-A1
Descriptor: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Ura, H, Harata, K, Matsui, I, Kuramitsu, S.
Deposit date:2000-09-22
Release date:2001-09-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Temperature dependence of the enzyme-substrate recognition mechanism.
J.Biochem., 129, 2001
6C4D
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BU of 6c4d by Molmil
Structure based design of RIP1 kinase inhibitors
Descriptor: (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
Authors:Saikatendu, K.S, Yoshikawa, M.
Deposit date:2018-01-11
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
1GDE
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BU of 1gde by Molmil
CRYSTAL STRUCTURE OF PYROCOCCUS PROTEIN A-1 E-FORM
Descriptor: ASPARTATE AMINOTRANSFERASE, GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Ura, H, Harata, K, Matsui, I, Kuramitsu, S.
Deposit date:2000-09-23
Release date:2001-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Temperature dependence of the enzyme-substrate recognition mechanism.
J.Biochem., 129, 2001
6X5Q
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BU of 6x5q by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluA1
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor 1
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2020-05-26
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
6C3E
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BU of 6c3e by Molmil
CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR
Descriptor: 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1
Authors:Saikatendu, K.S, Yoshikawa, M.
Deposit date:2018-01-09
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
1GIB
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BU of 1gib by Molmil
MU-CONOTOXIN GIIIB, NMR
Descriptor: MU-CONOTOXIN GIIIB
Authors:Hill, J.M, Alewood, P.F, Craik, D.J.
Deposit date:1996-04-17
Release date:1996-11-08
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of mu-conotoxin GIIIB, a specific blocker of skeletal muscle sodium channels.
Biochemistry, 35, 1996
6X5G
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BU of 6x5g by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and LRRC7 inhibitory domain
Descriptor: BICINE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ...
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2020-05-26
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
3KKO
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BU of 3kko by Molmil
Crystal structure of M-Ras P40D/D41E/L51R in complex with GppNHp
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras, ...
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
3KKM
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BU of 3kkm by Molmil
Crystal structure of H-Ras T35S in complex with GppNHp
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
3KKP
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BU of 3kkp by Molmil
Crystal structure of M-Ras P40D in complex with GppNHp
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
3KKN
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BU of 3kkn by Molmil
Crystal structure of H-Ras T35S in complex with GppNHp
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T.
Deposit date:2009-11-06
Release date:2010-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis for conformational dynamics of GTP-bound Ras protein
J.Biol.Chem., 285, 2010
6LBW
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BU of 6lbw by Molmil
Crystal structure of Ag-mediated base pairs in uncanonical DNA duplex
Descriptor: DNA (5'-D(*CP*GP*(CBR)P*GP*AP*(LCC)P*TP*CP*GP*CP*G)-3'), SILVER ION
Authors:Aoyama, H, Obika, S, Nakagawa, O.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Crystallographic Structure of Novel Types of Ag I -Mediated Base Pairs in Non-canonical DNA Duplex Containing 2'-O,4'-C-Methylene Bridged Nucleic Acids.
Chemistry, 27, 2021
6LTB
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BU of 6ltb by Molmil
Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-AMPPNP bound form
Descriptor: Nonribosomal peptide synthetase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Senda, T, Harada, A.
Deposit date:2020-01-22
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Functional Analyses of the Tridomain-Nonribosomal Peptide Synthetase FmoA3 for 4-Methyloxazoline Ring Formation.
Angew.Chem.Int.Ed.Engl., 60, 2021
6LTA
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BU of 6lta by Molmil
Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)
Descriptor: ACRYLIC ACID, Nonribosomal peptide synthetase
Authors:Senda, T, Harada, A.
Deposit date:2020-01-22
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and Functional Analyses of the Tridomain-Nonribosomal Peptide Synthetase FmoA3 for 4-Methyloxazoline Ring Formation.
Angew.Chem.Int.Ed.Engl., 60, 2021

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