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7W4Z
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BU of 7w4z by Molmil
Crystal structure of fragmin domain-1 in complex with actin (AMPPNP-form)
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Takeda, S.
登録日2021-11-29
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7W50
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BU of 7w50 by Molmil
Crystal structure of fragmin domain-1 in complex with actin (ADP-Pi-form)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
著者Takeda, S.
登録日2021-11-29
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7W52
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BU of 7w52 by Molmil
Crystal structure of fragmin domain-1 (15-160) in complex with actin
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Takeda, S.
登録日2021-11-29
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
6IR4
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BU of 6ir4 by Molmil
Crystal structure of BioU from Synechocystis sp.PCC6803 (apo form)
分子名称: Slr0355 protein
著者Sakaki, K, Oishi, K, Shimizu, T, Tomita, T, Kuzuyama, T, Nishiyama, M.
登録日2018-11-10
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Nat.Chem.Biol., 16, 2020
8BHD
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BU of 8bhd by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
分子名称: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
著者Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
登録日2022-10-31
公開日2023-01-25
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
7NP1
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BU of 7np1 by Molmil
Crystal Structure of the SARS-CoV-2 Receptor Binding Domain in Complex with Antibody ION-360
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin light chain, Immunoglobulin gamma-1 heavy chain, ...
著者Hall, G, Cowan, R, Carr, M.
登録日2021-02-26
公開日2021-11-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cross-Reactive SARS-CoV-2 Neutralizing Antibodies From Deep Mining of Early Patient Responses.
Front Immunol, 12, 2021
6ITD
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BU of 6itd by Molmil
Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid
分子名称: 3-(1-AMINOETHYL)NONANEDIOIC ACID, Slr0355 protein
著者Sakaki, K, Tomita, T, Kuzuyama, T, Nishiyama, M.
登録日2018-11-21
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Nat.Chem.Biol., 16, 2020
1C52
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BU of 1c52 by Molmil
THERMUS THERMOPHILUS CYTOCHROME-C552: A NEW HIGHLY THERMOSTABLE CYTOCHROME-C STRUCTURE OBTAINED BY MAD PHASING
分子名称: CYTOCHROME-C552, PROTOPORPHYRIN IX CONTAINING FE
著者Than, M.E, Hof, P, Huber, R, Bourenkov, G.P, Bartunik, H.D, Buse, G, Soulimane, T.
登録日1997-06-23
公開日1998-06-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Thermus thermophilus cytochrome-c552: A new highly thermostable cytochrome-c structure obtained by MAD phasing.
J.Mol.Biol., 271, 1997
6K36
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BU of 6k36 by Molmil
Crystal structure of BioU from Synechocystis sp.PCC6803 conjugated with DAPA
分子名称: (8S)-8-azanylnonanoic acid, Slr0355 protein
著者Sakaki, K, Tomita, T, Nishiyama, M.
登録日2019-05-16
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Nat.Chem.Biol., 16, 2020
4ZY3
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BU of 4zy3 by Molmil
Crystal Structure of Keap1 in Complex with a small chemical compound, K67
分子名称: FORMIC ACID, Kelch-like ECH-associated protein 1, N,N'-[2-(2-oxopropyl)naphthalene-1,4-diyl]bis(4-ethoxybenzenesulfonamide)
著者Fukutomi, T, Iso, T, Suzuki, T, Takagi, K, Mizushima, T, Komatsu, M, Yamamoto, M.
登録日2015-05-21
公開日2016-05-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献p62/Sqstm1 promotes malignancy of HCV-positive hepatocellular carcinoma through Nrf2-dependent metabolic reprogramming
Nat Commun, 7, 2016
2JPE
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BU of 2jpe by Molmil
FHA domain of NIPP1
分子名称: Nuclear inhibitor of protein phosphatase 1
著者Kumeta, H, Ogura, K, Fujioka, Y, Tanuma, N, Kikuchi, K, Inagaki, F.
登録日2007-05-07
公開日2007-05-15
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献The NMR structure of the NIPP1 FHA domain.
J.Biomol.Nmr, 40, 2008
6K37
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BU of 6k37 by Molmil
Crystal structure of BioU (K124A) from Synechocystis sp.PCC6803 in complex with NAD+ and the analog of reaction intermediate, 3-(1-aminoethyl)-nonanedioic acid
分子名称: (3R)-3-[(1R)-1-azanylethyl]nonanedioic acid, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Slr0355 protein
著者Sakaki, K, Tomita, T, Nishiyama, M.
登録日2019-05-16
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Nat.Chem.Biol., 16, 2020
6K38
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BU of 6k38 by Molmil
Crystal structure of BioU (H233A) from Synechocystis sp.PCC6803 conjugated with DAPA
分子名称: (8S)-8-azanylnonanoic acid, Slr0355 protein
著者Sakaki, K, Tomita, T, Nishiyama, M.
登録日2019-05-16
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Nat.Chem.Biol., 16, 2020
8K7X
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BU of 8k7x by Molmil
Crystal structure of GH146 beta-L-arabinofuranosidase Bll3HypBA1 (amino acids 380-1223) in complex with Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
著者Pan, L, Maruyama, S, Miyake, M, Fujita, K, Fushinobu, S.
登録日2023-07-27
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Bifidobacterial GH146 beta-L-arabinofuranosidase for the removal of beta 1,3-L-arabinofuranosides on plant glycans.
Appl.Microbiol.Biotechnol., 108, 2024
8K7Y
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BU of 8k7y by Molmil
Crystal structure of GH146 beta-L-arabinofuranosidase Bll3HypBA1 (amino acids 380-1051), ligand-free form
分子名称: ZINC ION, beta1,3-L-arabinofuranoside
著者Maruyama, S, Pan, L, Miyake, M, Fujita, K, Fushinobu, S.
登録日2023-07-27
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bifidobacterial GH146 beta-L-arabinofuranosidase for the removal of beta 1,3-L-arabinofuranosides on plant glycans.
Appl.Microbiol.Biotechnol., 108, 2024
3IS3
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BU of 3is3 by Molmil
Crystal structure of 17beta-Hydroxysteroid dehydrogenase (Apo form) from fungus Cochliobolus lunatus
分子名称: 17beta-hydroxysteroid dehydrogenase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Cassetta, A, Lamba, D, Krastanova, I.
登録日2009-08-25
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural studies on a fungal 17beta Hydroxysteroid dehydrogenase
To be Published
3ITD
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BU of 3itd by Molmil
Crystal structure of an inactive 17beta-Hydroxysteroid dehydrogenase (Y167F mutated form) from fungus Cochliobolus lunatus
分子名称: 17beta-Hydroxysteroid dehydrogenase, CHLORIDE ION, GLYCEROL
著者Cassetta, A, Lamba, D, Krastanova, I.
登録日2009-08-28
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural studies on a fungal 17beta-Hydroxysteroid dehydrogenase
To be Published
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
3IIT
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BU of 3iit by Molmil
Factor XA in complex with a cis-1,2-diaminocyclohexane derivative
分子名称: 7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide, Activated factor Xa heavy chain, CALCIUM ION, ...
著者Suzuki, M.
登録日2009-08-03
公開日2010-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.
Bioorg.Med.Chem., 17, 2009
1BD0
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BU of 1bd0 by Molmil
ALANINE RACEMASE COMPLEXED WITH ALANINE PHOSPHONATE
分子名称: ALANINE RACEMASE, {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID
著者Stamper, G.F, Morollo, A.A, Ringe, D.
登録日1998-05-12
公開日1998-10-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Reaction of alanine racemase with 1-aminoethylphosphonic acid forms a stable external aldimine.
Biochemistry, 37, 1998
4TMN
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BU of 4tmn by Molmil
SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES
分子名称: CALCIUM ION, N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine, THERMOLYSIN, ...
著者Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
6A1G
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BU of 6a1g by Molmil
Crystal structure of human DYRK1A in complex with compound 32
分子名称: 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6A1F
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BU of 6a1f by Molmil
Crystal structure of human DYRK1A in complex with compound 14
分子名称: 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Baba, D, Hanzawa, H.
登録日2018-06-07
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
7Y13
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BU of 7y13 by Molmil
Cryo-EM structure of apo-state MrgD-Gi complex (local)
分子名称: PALMITIC ACID, Soluble cytochrome b562,Mas-related G-protein coupled receptor member D
著者Suzuki, S, Iida, M, Kawamoto, A, Oshima, A.
登録日2022-06-06
公開日2022-07-20
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insight into the activation mechanism of MrgD with heterotrimeric Gi-protein revealed by cryo-EM.
Commun Biol, 5, 2022
7Y12
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BU of 7y12 by Molmil
Cryo-EM structure of MrgD-Gi complex with beta-alanine
分子名称: BETA-ALANINE, 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, ...
著者Suzuki, S, Iida, M, Kawamoto, A, Oshima, A.
登録日2022-06-06
公開日2022-07-20
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insight into the activation mechanism of MrgD with heterotrimeric Gi-protein revealed by cryo-EM.
Commun Biol, 5, 2022

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件を2024-10-09に公開中

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