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7BUS
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BU of 7bus by Molmil
Chalcone synthase from Glycine max (L.) Merr (soybean)
Descriptor: Chalcone synthase
Authors:Imaizumi, R, Mameda, R, Takeshita, K, Waki, T, Kubo, H, Sakai, N, Nakata, S, Takahashi, S, Kataoka, K, Yamamoto, M, Yamashita, S, Nakayama, T.
Deposit date:2020-04-08
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of chalcone synthase, a key enzyme for isoflavonoid biosynthesis in soybean.
Proteins, 2020
2ZRX
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BU of 2zrx by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN and DMAPP.
Descriptor: DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase, ...
Authors:Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
Deposit date:2008-09-01
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
2ZRZ
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BU of 2zrz by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN and DMAPP
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, DIMETHYLALLYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, ...
Authors:Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
Deposit date:2008-09-01
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
2ZRY
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BU of 2zry by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN and IPP.
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, ...
Authors:Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
Deposit date:2008-09-01
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
2ZRV
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BU of 2zrv by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN.
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Isopentenyl-diphosphate delta-isomerase
Authors:Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
Deposit date:2008-09-01
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
2ZRW
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BU of 2zrw by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN and IPP.
Descriptor: FLAVIN MONONUCLEOTIDE, ISOPENTYL PYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, ...
Authors:Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
Deposit date:2008-09-01
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
2ZRU
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BU of 2zru by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase
Authors:Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
Deposit date:2008-09-01
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
1SIU
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BU of 1siu by Molmil
KUMAMOLISIN-AS E78H MUTANT
Descriptor: CALCIUM ION, SULFATE ION, kumamolisin-As
Authors:Li, M, Wlodawer, A, Gustchina, A, Tsuruoka, N, Ashida, M, Minakata, H, Oyama, H, Oda, K, Nishino, T, Nakayama, T.
Deposit date:2004-03-01
Release date:2004-03-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystallographic and biochemical investigations of kumamolisin-As, a serine-carboxyl peptidase with collagenase activity
J.Biol.Chem., 279, 2004
1ZVK
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BU of 1zvk by Molmil
Structure of Double mutant, D164N, E78H of Kumamolisin-As
Descriptor: CALCIUM ION, kumamolisin-As
Authors:Li, M, Wlodawer, A, Gustchina, A, Nakayama, T.
Deposit date:2005-06-02
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site.
Febs J., 273, 2006
1ZVJ
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BU of 1zvj by Molmil
Structure of Kumamolisin-AS mutant, D164N
Descriptor: CALCIUM ION, SULFATE ION, kumamolisin-As
Authors:Li, M, Wlodawer, A, Gustchina, A, Nakayama, T.
Deposit date:2005-06-02
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site.
Febs J., 273, 2006
2E1T
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BU of 2e1t by Molmil
Crystal structure of Dendranthema morifolium DmAT complexed with malonyl-CoA
Descriptor: MALONYL-COENZYME A, acyl transferase
Authors:Unno, H, Ichimaida, F, Kusunoki, M, Nakayama, T.
Deposit date:2006-10-28
Release date:2007-04-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mutational Studies of Anthocyanin Malonyltransferases Establish the Features of BAHD Enzyme Catalysis
J.Biol.Chem., 282, 2007
2E1U
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BU of 2e1u by Molmil
Crystal structure of Dendranthema morifolium DmAT
Descriptor: acyl transferase
Authors:Unno, H, Ichimaida, F, Kusunoki, M, Nakayama, T.
Deposit date:2006-10-28
Release date:2007-04-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Mutational Studies of Anthocyanin Malonyltransferases Establish the Features of BAHD Enzyme Catalysis
J.Biol.Chem., 282, 2007
2E1V
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BU of 2e1v by Molmil
Crystal structure of Dendranthema morifolium DmAT, seleno-methionine derivative
Descriptor: acyl transferase
Authors:Unno, H, Ichimaida, F, Kusunoki, M, Nakayama, T.
Deposit date:2006-10-28
Release date:2007-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mutational Studies of Anthocyanin Malonyltransferases Establish the Features of BAHD Enzyme Catalysis
J.Biol.Chem., 282, 2007
3WJ2
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BU of 3wj2 by Molmil
Crystal structure of ESTFA (FE-lacking apo form)
Descriptor: Carboxylesterase
Authors:Ohara, K, Unno, H, Oshima, Y, Furukawa, K, Fujino, N, Hirooka, K, Hemmi, H, Takahashi, S, Nishino, T, Kusunoki, M, Nakayama, T.
Deposit date:2013-10-03
Release date:2014-07-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural insights into the low pH adaptation of a unique carboxylesterase from Ferroplasma: altering the pH optima of two carboxylesterases.
J.Biol.Chem., 289, 2014
3WJ1
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BU of 3wj1 by Molmil
Crystal structure of SSHESTI
Descriptor: Carboxylesterase, octyl beta-D-glucopyranoside
Authors:Ohara, K, Unno, H, Oshima, Y, Furukawa, K, Fujino, N, Hirooka, K, Hemmi, H, Takahashi, S, Nishino, T, Kusunoki, M, Nakayama, T.
Deposit date:2013-10-03
Release date:2014-07-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into the low pH adaptation of a unique carboxylesterase from Ferroplasma: altering the pH optima of two carboxylesterases.
J.Biol.Chem., 289, 2014
3B12
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BU of 3b12 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase D104 mutant from Burkholderia sp. FA1 in complex with fluoroacetate
Descriptor: Fluoroacetate dehalogenase, MAGNESIUM ION, fluoroacetic acid
Authors:Omi, R, Hirotsu, K.
Deposit date:2011-06-19
Release date:2012-06-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate specificity of fluoroacetate dehalogenase: an insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computations
Chemistry, 18, 2012
1CYC
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BU of 1cyc by Molmil
THE CRYSTAL STRUCTURE OF BONITO (KATSUO) FERROCYTOCHROME C AT 2.3 ANGSTROMS RESOLUTION. II. STRUCTURE AND FUNCTION
Descriptor: FERROCYTOCHROME C, HEME C
Authors:Tanaka, N, Yamane, T, Tsukihara, T, Ashida, T, Kakudo, M.
Deposit date:1976-08-01
Release date:1976-10-06
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of bonito (katsuo) ferrocytochrome c at 2.3 A resolution. II. Structure and function.
J.Biochem.(Tokyo), 77, 1975
7FJK
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BU of 7fjk by Molmil
Tyrosine phenol-lyase from pantoea agglomerans
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Katayama, T, Mikamii, B, Byun, Z.
Deposit date:2021-08-04
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Faecal microbiota-dependent phenol production from tyrosine
To Be Published
4YVC
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BU of 4yvc by Molmil
ROCK 1 bound to thiazole inhibitor
Descriptor: 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2015-03-19
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
4YVE
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BU of 4yve by Molmil
ROCK 1 bound to methoxyphenyl thiazole inhibitor
Descriptor: 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2015-03-19
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
1NGQ
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BU of 1ngq by Molmil
N1G9 (IGG1-LAMBDA) FAB FRAGMENT
Descriptor: N1G9 (IGG1-LAMBDA), SULFATE ION
Authors:Mizutani, R, Satow, Y.
Deposit date:1995-06-23
Release date:1996-07-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-dimensional structures of the Fab fragment of murine N1G9 antibody from the primary immune response and of its complex with (4-hydroxy-3-nitrophenyl)acetate.
J.Mol.Biol., 254, 1995
1NGP
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BU of 1ngp by Molmil
N1G9 (IGG1-LAMBDA) FAB FRAGMENT COMPLEXED WITH (4-HYDROXY-3-NITROPHENYL) ACETATE
Descriptor: 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID, N1G9 (IGG1-LAMBDA), SULFATE ION
Authors:Mizutani, R, Satow, Y.
Deposit date:1995-06-23
Release date:1996-07-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-dimensional structures of the Fab fragment of murine N1G9 antibody from the primary immune response and of its complex with (4-hydroxy-3-nitrophenyl)acetate.
J.Mol.Biol., 254, 1995
1SN7
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BU of 1sn7 by Molmil
KUMAMOLISIN-AS, APOENZYME
Descriptor: CALCIUM ION, kumamolisin-As
Authors:Wlodawer, A, Li, M, Gustchina, A, Oda, K, Nishino, T.
Deposit date:2004-03-10
Release date:2004-06-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and biochemical investigations of kumamolisin-as, a serine-carboxyl peptidase with collagenase activity.
J.Biol.Chem., 279, 2004
7C7F
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BU of 7c7f by Molmil
Crystal structures of AKR1C3 binary complex with NADP+
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
7C7G
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BU of 7c7g by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j
Descriptor: 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020

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