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7EXZ
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BU of 7exz by Molmil
DgpB-DgpC complex apo 2.5 angstrom
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AP_endonuc_2 domain-containing protein, DgpB, ...
著者Mori, T, Senda, M, Senda, T, Abe, I.
登録日2021-05-29
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
7EXB
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DfgA-DfgB complex apo 2.4 angstrom
分子名称: DfgB, MANGANESE (II) ION, SULFATE ION, ...
著者Mori, T, Senda, M, Senda, T, Abe, I.
登録日2021-05-26
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
6LTC
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BU of 6ltc by Molmil
Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-alpha-methyl-L-serine-AMP bound form
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Nonribosomal peptide synthetase, ...
著者Senda, T, Harada, A.
登録日2020-01-22
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and Functional Analyses of the Tridomain-Nonribosomal Peptide Synthetase FmoA3 for 4-Methyloxazoline Ring Formation.
Angew.Chem.Int.Ed.Engl., 60, 2021
6LTD
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Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-alpha-methyl-L-serine-AMP bound form
分子名称: ADENOSINE MONOPHOSPHATE, Nonribosomal peptide synthetase, alpha-methyl-L-serine
著者Senda, T, Harada, A.
登録日2020-01-22
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Structural and Functional Analyses of the Tridomain-Nonribosomal Peptide Synthetase FmoA3 for 4-Methyloxazoline Ring Formation.
Angew.Chem.Int.Ed.Engl., 60, 2021
6LTB
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BU of 6ltb by Molmil
Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-AMPPNP bound form
分子名称: Nonribosomal peptide synthetase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Senda, T, Harada, A.
登録日2020-01-22
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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)
分子名称: ACRYLIC ACID, Nonribosomal peptide synthetase
著者Senda, T, Harada, A.
登録日2020-01-22
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and Functional Analyses of the Tridomain-Nonribosomal Peptide Synthetase FmoA3 for 4-Methyloxazoline Ring Formation.
Angew.Chem.Int.Ed.Engl., 60, 2021
7SQI
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BU of 7sqi by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP
分子名称: Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
著者Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D.
登録日2021-11-05
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
7SZ9
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Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ...
著者Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D.
登録日2021-11-26
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
3VNT
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BU of 3vnt by Molmil
Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative
分子名称: 1,2-ETHANEDIOL, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Vascular endothelial growth factor receptor 2
著者Oki, H.
登録日2012-01-17
公開日2012-04-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds
J.Med.Chem., 55, 2012
5ZC9
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Crystal structure of the human eIF4A1-ATP analog-RocA-polypurine RNA complex
分子名称: (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ...
著者Iwasaki, W, Takahashi, M, Sakamoto, A, Iwasaki, S, Ito, T.
登録日2018-02-16
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA.
Mol. Cell, 73, 2019
5ZT8
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SirB from Bacillus subtilis
分子名称: Sirohydrochlorin ferrochelatase
著者Fujishiro, T.
登録日2018-05-02
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of sirohydrochlorin ferrochelatase SirB: the last of the structures of the class II chelatase family.
Dalton Trans, 48, 2019
8GU3
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BU of 8gu3 by Molmil
Crystal structure of Caenorhabditis elegans METT-10 methyltransferase domain
分子名称: U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase
著者Ju, J, Tomita, K.
登録日2022-09-09
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structure of the Caenorhabditis elegans m6A methyltransferase METT10 that regulates SAM homeostasis.
Nucleic Acids Res., 51, 2023
7CUF
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BU of 7cuf by Molmil
Crystal Structure of Urate Oxidase from Bacillus sp. TB-90 in the absence from Chloride Anion at 1.44 A resolution
分子名称: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Hibi, T, Itoh, T.
登録日2020-08-22
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Identification of quasi-stable water molecules near the Thr73-Lys13 catalytic diad of Bacillus sp. TB-90 urate oxidase by X-ray crystallography with controlled humidity.
J.Biochem., 169, 2021
5ZT7
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SirB from Bacillus subtilis with Co2+
分子名称: COBALT (II) ION, Sirohydrochlorin ferrochelatase
著者Fujishiro, T.
登録日2018-05-02
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure of sirohydrochlorin ferrochelatase SirB: the last of the structures of the class II chelatase family.
Dalton Trans, 48, 2019
1GA5
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BU of 1ga5 by Molmil
CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT
分子名称: 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*(5IT)P*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ...
著者Sierk, M.L, Zhao, Q, Rastinejad, F.
登録日2000-11-29
公開日2001-11-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
7CUG
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BU of 7cug by Molmil
Crystal Structure of Urate Oxidase from Bacillus sp. TB-90 in the absence from Chloride Anion at 1.62 A resolution
分子名称: 2-METHOXYETHANOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
著者Hibi, T, Itoh, T.
登録日2020-08-23
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of quasi-stable water molecules near the Thr73-Lys13 catalytic diad of Bacillus sp. TB-90 urate oxidase by X-ray crystallography with controlled humidity.
J.Biochem., 169, 2021
7C3G
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BU of 7c3g by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134
分子名称: 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ...
著者Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M.
登録日2020-05-12
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva.
Bioorg.Med.Chem.Lett., 38, 2021
1H6I
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BU of 1h6i by Molmil
A REFINED STRUCTURE OF HUMAN AQUAPORIN 1
分子名称: AQUAPORIN-1
著者De Groot, B.L, Engel, A, Grubmuller, H.
登録日2001-06-15
公開日2001-12-13
最終更新日2024-05-01
実験手法ELECTRON CRYSTALLOGRAPHY (3.54 Å)
主引用文献A Refined Structure of Human Aquaporin 1
FEBS Lett., 504, 2001
7XZK
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BU of 7xzk by Molmil
Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine
分子名称: (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Shoji, O, Yonemura, K.
登録日2022-06-02
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine
To Be Published
1GRL
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BU of 1grl by Molmil
THE CRYSTAL STRUCTURE OF THE BACTERIAL CHAPERONIN GROEL AT 2.8 ANGSTROMS
分子名称: GROEL (HSP60 CLASS)
著者Braig, K, Otwinowski, Z, Hegde, R, Boisvert, D.C, Joachimiak, A, Horwich, A.L, Sigler, P.B.
登録日1995-03-07
公開日1995-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of the bacterial chaperonin GroEL at 2.8 A.
Nature, 371, 1994
1HLZ
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BU of 1hlz by Molmil
CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT
分子名称: 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ...
著者Sierk, M.L, Zhao, Q, Rastinejad, F.
登録日2000-12-04
公開日2001-11-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
8HMM
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BU of 8hmm by Molmil
Crystal structure of AoRhaA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bac_rhamnosid6H domain-containing protein
著者Makabe, K, Koseki, T.
登録日2022-12-05
公開日2023-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aspergillus oryzae alpha-l-rhamnosidase: Crystal structure and insight into the substrate specificity.
Proteins, 92, 2024
2PKP
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BU of 2pkp by Molmil
Crystal structure of 3-isopropylmalate dehydratase (leuD)from Methhanocaldococcus Jannaschii DSM2661 (MJ1271)
分子名称: DI(HYDROXYETHYL)ETHER, Homoaconitase small subunit, ZINC ION
著者Jeyakanthan, J, Gayathri, D.R, Velmurugan, D, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-18
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate specificity determinants of the methanogen homoaconitase enzyme: structure and function of the small subunit
Biochemistry, 49, 2010
7Y1G
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BU of 7y1g by Molmil
Crystal structure of human PRKACA complexed with DS01080522
分子名称: 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha
著者Suzuki, M, Ubukata, O, Toyoda, A.
登録日2022-06-08
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
7VKF
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Reduced enzyme of FAD-dpendent Glucose Dehydrogenase complex with D-glucono-1,5-lactone at pH8.5
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-glucono-1,5-lactone, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Nakajima, Y, Nishiya, Y, Ito, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational change of catalytic residue in reduced enzyme of FAD-dependent Glucose Dehydrogenase at pH6.5
To Be Published

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