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6L3R
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BU of 6l3r by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
Descriptor: 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Miyahara, S, Chong, K.T, Suzuki, T.
Deposit date:2019-10-15
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6L7L
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BU of 6l7l by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
Descriptor: 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Miyahara, S, Chong, K.T, Suzuki, T.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6LKM
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BU of 6lkm by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
Descriptor: 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Miyahara, S, Chong, K.T, Suzuki, T.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
5JIS
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BU of 5jis by Molmil
The Crystal Structure of O-acetyl serine sulfhydralase from Brucella abortus
Descriptor: Cysteine synthase
Authors:Dharavath, S, Gourinath, S.
Deposit date:2016-04-22
Release date:2017-04-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based mutational studies of O-acetylserine sulfhydrylase reveal the reason for the loss of cysteine synthase complex formation in Brucella abortus
Biochem. J., 474, 2017
5JJC
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BU of 5jjc by Molmil
Crystal Structure of double mutant (Q96A-Y125A) O-Acetyl Serine Sulfhydralase from Brucella abortus
Descriptor: Cysteine synthase
Authors:Dharavath, S, Gourinath, S.
Deposit date:2016-04-23
Release date:2017-04-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-based mutational studies of O-acetylserine sulfhydrylase reveal the reason for the loss of cysteine synthase complex formation in Brucella abortus
Biochem. J., 474, 2017
8GST
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BU of 8gst by Molmil
Crystal structure of L-2,4-diketo-3-deoxyrhamnonate hydrolase from Sphingomonas sp. (pyruvate bound-form)
Descriptor: L-2,4-diketo-3-deoxyrhamnonate hydrolase, MAGNESIUM ION, PYRUVIC ACID
Authors:Fukuhara, S, Watanabe, Y, Watanabe, S, Nishiwaki, H.
Deposit date:2022-09-07
Release date:2023-02-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Structure of l-2,4-Diketo-3-deoxyrhamnonate Hydrolase Involved in the Nonphosphorylated l-Rhamnose Pathway from Bacteria.
Biochemistry, 62, 2023
8GSR
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BU of 8gsr by Molmil
Crystal structure of L-2,4-diketo-3-deoxyrhamnonate hydrolase from Sphingomonas sp. (apo-form)
Descriptor: L-2,4-diketo-3-deoxyrhamnonate hydrolase, MAGNESIUM ION
Authors:Fukuhara, S, Watanabe, Y, Watanabe, S, Nishiwaki, H.
Deposit date:2022-09-07
Release date:2023-02-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of l-2,4-Diketo-3-deoxyrhamnonate Hydrolase Involved in the Nonphosphorylated l-Rhamnose Pathway from Bacteria.
Biochemistry, 62, 2023
3WJ4
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BU of 3wj4 by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with tributyltin
Descriptor: Peroxisome proliferator-activated receptor gamma, tributylstannanyl
Authors:Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T.
Deposit date:2013-10-04
Release date:2014-10-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds
To be Published
3WJ5
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BU of 3wj5 by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with triphenyltin
Descriptor: Peroxisome proliferator-activated receptor gamma, triphenylstannanyl
Authors:Harada, S, Hiromori, Y, Fukakusa, S, Kawahara, K, Nakamura, S, Noda, M, Uchiyama, S, Fukui, K, Nishikawa, J, Nagase, H, Kobayashi, Y, Ohkubo, T, Yoshida, T, Nakanishi, T.
Deposit date:2013-10-04
Release date:2014-10-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for PPARgamma transactivation by endocrine disrupting organotin compounds
To be Published
7BW9
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BU of 7bw9 by Molmil
Crystal structure of Serine acetyltransferase isoform 3 in complex with cysteine from Entamoeba histolytica
Descriptor: CYSTEINE, Serine acetyltransferase 1, putative
Authors:Dharavath, S, Kumar, S, Gourinath, S.
Deposit date:2020-04-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Crystal structure of Serine acetyltransferase isoform 3 in complex with cysteine from Entamoeba histolytica
To Be Published
1C47
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BU of 1c47 by Molmil
BINDING DRIVEN STRUCTURAL CHANGES IN CRYSTALINE PHOSPHOGLUCOMUTASE ASSOCIATED WITH CHEMICAL REACTION
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE PHOSPHOTRANSFERASE, CADMIUM ION
Authors:Baranidharan, S, Ray Jr, W.J.
Deposit date:1999-08-11
Release date:1999-08-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding Driven Structural Changes in Crystaline Phosphoglucomutase Associated with Chemical Reaction
To be Published
1C4G
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BU of 1c4g by Molmil
PHOSPHOGLUCOMUTASE VANADATE BASED TRANSITION STATE ANALOG COMPLEX
Descriptor: ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE, COBALT (II) ION, PROTEIN (ALPHA-D-GLUCOSE 1-PHOSPHATE PHOSPHOGLUCOMUTASE)
Authors:Baranidharan, S, Ray Jr, W.J.
Deposit date:1999-08-24
Release date:1999-08-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Relationships at the Active Site of Phos in Analog Complexes
To be Published
1Y4Y
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BU of 1y4y by Molmil
X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr)
Descriptor: Phosphocarrier protein HPr, SULFATE ION
Authors:Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C.
Deposit date:2004-12-01
Release date:2005-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers.
J.Mol.Biol., 346, 2005
1Y50
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BU of 1y50 by Molmil
X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr) F29W mutant domain_swapped dimer
Descriptor: Phosphocarrier protein HPr, SULFATE ION
Authors:Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C.
Deposit date:2004-12-01
Release date:2005-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers.
J.Mol.Biol., 346, 2005
1Y51
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BU of 1y51 by Molmil
X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr) F29W mutant
Descriptor: Phosphocarrier protein HPr, SULFATE ION
Authors:Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C.
Deposit date:2004-12-01
Release date:2005-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers.
J.Mol.Biol., 346, 2005
1FJ5
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BU of 1fj5 by Molmil
TAMOXIFEN-DNA ADDUCT
Descriptor: (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3')
Authors:Shimotakahara, S, Gorin, A, Kolbanovskiy, A, Kettani, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N, Patel, D.J.
Deposit date:2000-08-07
Release date:2000-09-11
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Accomodation of S-cis-tamoxifen-N(2)-guanine adduct within a bent and widened DNA minor groove.
J.Mol.Biol., 302, 2000
7R97
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BU of 7r97 by Molmil
Crystal structure of postcleavge complex of Escherichia coli RNase III
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Dharavath, S, Shaw, G.X, Ji, X.
Deposit date:2021-06-28
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Structural basis for Dicer-like function of an engineered RNase III variant and insights into the reaction trajectory of two-Mg 2+ -ion catalysis.
Rna Biol., 19, 2022
5L8W
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BU of 5l8w by Molmil
Structure of USP12-UB-PRG/UAF1
Descriptor: GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 12, ...
Authors:Dharadhar, S, Sixma, T.
Deposit date:2016-06-08
Release date:2016-09-28
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:A conserved two-step binding for the UAF1 regulator to the USP12 deubiquitinating enzyme.
J.Struct.Biol., 196, 2016
6KU3
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BU of 6ku3 by Molmil
Crystal structure of gibberellin 2-oxidase3 (GA2ox3)in rice
Descriptor: 2-OXOGLUTARIC ACID, GIBBERELLIN A4, GLYCEROL, ...
Authors:Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
Deposit date:2019-08-30
Release date:2020-05-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
6KUN
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BU of 6kun by Molmil
Crystal structure of dioxygenase for auxin oxidation (DAO) in rice
Descriptor: 1H-INDOL-3-YLACETIC ACID, 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent dioxygenase DAO, ...
Authors:Takehara, S, Mikami, B, Sakuraba, S, Matsuoka, M, Ueguchi-Tanaka, M.
Deposit date:2019-09-02
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:A common allosteric mechanism regulates homeostatic inactivation of auxin and gibberellin.
Nat Commun, 11, 2020
6KR5
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BU of 6kr5 by Molmil
Crystal structure of O-Acetyl Serine Sulfhydrylase isoform 3 from Entamoeba histolytica
Descriptor: Cysteine synthase 3, PYRIDOXAL-5'-PHOSPHATE
Authors:Dharavath, S, Gourinath, S.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Crystal structure of O-Acetylserine sulfhydralase (OASS) isoform 3 from Entamoeba histolytica: Pharmacophore-based virtual screening and validation of novel inhibitors.
Eur.J.Med.Chem., 192, 2020
7D3S
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BU of 7d3s by Molmil
Human SECR in complex with an engineered Gs heterotrimer
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Fukuhara, S, Kobayashi, K, Kusakizako, T, Shihoya, W, Nureki, O.
Deposit date:2020-09-20
Release date:2020-11-04
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the human secretin receptor coupled to an engineered heterotrimeric G protein.
Biochem.Biophys.Res.Commun., 533, 2020
5L8E
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BU of 5l8e by Molmil
Structure of UAF1
Descriptor: GLYCEROL, Unknown, WD repeat-containing protein 48
Authors:Dharadhar, S, Sixma, T.
Deposit date:2016-06-07
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A conserved two-step binding for the UAF1 regulator to the USP12 deubiquitinating enzyme.
J.Struct.Biol., 196, 2016
6IJF
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BU of 6ijf by Molmil
Crystal structure of the type VI effector-immunity complex (Tae4-Tai4) from Agrobacterium tumefaciens
Descriptor: PENTAETHYLENE GLYCOL, SULFATE ION, Tae4, ...
Authors:Fukuhara, S, Nakane, T, Yamashita, K, Ishii, R, Ishitani, R, Nureki, O.
Deposit date:2018-10-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Agrobacterium tumefaciens type VI effector-immunity complex.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6IJE
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BU of 6ije by Molmil
Crystal structure of the type VI amidase immunity (Tai4) from Agrobacterium tumefaciens
Descriptor: 1,2-ETHANEDIOL, Tai4
Authors:Fukuhara, S, Nakane, T, Yamashita, K, Ishii, R, Ishitani, R, Nureki, O.
Deposit date:2018-10-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the Agrobacterium tumefaciens type VI effector-immunity complex.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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