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7W9R
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BU of 7w9r by Molmil
Crystal structure of V30M-TTR in complex with naringenin derivative-18
分子名称: (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin
著者Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M.
登録日2021-12-10
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
J.Med.Chem., 65, 2022
2END
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BU of 2end by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
分子名称: ENDONUCLEASE V
著者Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
登録日1994-08-08
公開日1994-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
8YIB
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BU of 8yib by Molmil
Staphylococcus aureus lipase -PSA complex - covalent bonding state
分子名称: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kitadokoro, J, Kamitani, S, Kitadokoro, K.
登録日2024-02-29
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
6JIG
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BU of 6jig by Molmil
Crystal structure of GMP reductase C318A from Trypanosoma brucei in complex with guanosine 5'-monophosphate
分子名称: GMP reductase, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION
著者Mase, H, Imamura, A, Nishimura, S, Inui, T.
登録日2019-02-21
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
6JL8
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BU of 6jl8 by Molmil
Crystal structure of GMP reductase C318A from Trypanosoma brucei
分子名称: GMP reductase
著者Mase, H, Imamura, A, Nishimura, S, Inui, T.
登録日2019-03-04
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
8K7P
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BU of 8k7p by Molmil
Staphylococcus aureus lipase -PSA complex
分子名称: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kitadokoro, J, Kamitani, S, Kitadokoro, K.
登録日2023-07-27
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
8K7Q
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BU of 8k7q by Molmil
Staphylococcus aureus lipase S116A inactive mutant-PSA complex
分子名称: ACETIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Kitadokoro, J, Kamitani, S, Kitadokoro, K.
登録日2023-07-27
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
3TXM
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BU of 3txm by Molmil
Crystal structure of Rpn6 from Drosophila melanogaster, Gd(3+) complex
分子名称: 26S proteasome regulatory complex subunit p42B, GADOLINIUM ION, SULFATE ION
著者Pathare, G.R, Bracher, A.
登録日2011-09-23
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The proteasomal subunit Rpn6 is a molecular clamp holding the core and regulatory subcomplexes together.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TXN
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BU of 3txn by Molmil
Crystal structure of Rpn6 from Drosophila melanogaster, native data
分子名称: 26S proteasome regulatory complex subunit p42B, GLYCEROL, SULFATE ION
著者Pathare, G.R, Bracher, A.
登録日2011-09-23
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献The proteasomal subunit Rpn6 is a molecular clamp holding the core and regulatory subcomplexes together.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UMW
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BU of 3umw by Molmil
Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one
分子名称: (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ...
著者Parker, L.J, Handa, N, Yokoyama, S.
登録日2011-11-14
公開日2012-10-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.
J.Med.Chem., 55, 2012
7DZW
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BU of 7dzw by Molmil
Apo spike protein from SARS-CoV2
分子名称: Spike glycoprotein
著者Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H.
登録日2021-01-26
公開日2021-06-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
7DZX
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BU of 7dzx by Molmil
Spike protein from SARS-CoV2 with Fab fragment of enhancing antibody 8D2
分子名称: Fab Heavy chain of enhancing antibody, Fab light chain of enhancing antibody, Spike glycoprotein
著者Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H.
登録日2021-01-26
公開日2021-06-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
5YFI
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BU of 5yfi by Molmil
Crystal structure of the anti-human prostaglandin E receptor EP4 antibody Fab fragment
分子名称: Heavy chain of Fab fragment, Light chain of Fab fragment, ZINC ION
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-21
公開日2018-12-05
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
5YHL
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BU of 5yhl by Molmil
Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative
分子名称: 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-09-28
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
2N42
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BU of 2n42 by Molmil
EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data
分子名称: GTPase HRas
著者Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-16
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2N46
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BU of 2n46 by Molmil
EC-NMR Structure of Human H-RasT35S mutant protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data
分子名称: GTPase HRas
著者Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2015-06-17
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
5YWY
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BU of 5ywy by Molmil
Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and ONO-AE3-208
分子名称: 4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ...
著者Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T.
登録日2017-11-30
公開日2018-12-05
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
7DZY
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BU of 7dzy by Molmil
Spike protein from SARS-CoV2 with Fab fragment of enhancing antibody 2490
分子名称: Fab Heavy chain of enhancing antibody 2490, Fab light chain of enhancing antibody 2490, Spike glycoprotein
著者Liu, Y, Soh, W.T, Li, S, Kishikawa, J, Hirose, M, Kato, T, Standley, D, Okada, M, Arase, H.
登録日2021-01-26
公開日2021-06-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献An infectivity-enhancing site on the SARS-CoV-2 spike protein targeted by antibodies.
Cell, 184, 2021
5T3S
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BU of 5t3s by Molmil
HIV gp140 trimer MD39-10MUTA in complex with Fabs PGT124 and 35022
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2016-08-26
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献HIV Vaccine Design to Target Germline Precursors of Glycan-Dependent Broadly Neutralizing Antibodies.
Immunity, 45, 2016
5WQC
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BU of 5wqc by Molmil
Crystal structure of human orexin 2 receptor bound to the selective antagonist EMPA determined by the synchrotron light source at SPring-8.
分子名称: N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ...
著者Suno, R, Hirata, K, Yamashita, K, Tsujimoto, H, Sasanuma, M, Horita, S, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T.
登録日2016-11-25
公開日2017-11-29
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA
Structure, 26, 2018
6IO0
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BU of 6io0 by Molmil
Human IDH1 R132C mutant complexed with compound A.
分子名称: (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ...
著者Suzuki, M, Baba, D, Hanzawa, H.
登録日2018-10-29
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
6JMF
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BU of 6jmf by Molmil
Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4
分子名称: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide, SULFATE ION, Tyrosine-protein kinase Fes/Fps
著者Baba, D, Hanzawa, H.
登録日2019-03-08
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.
Acs Med.Chem.Lett., 10, 2019
5GMD
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BU of 5gmd by Molmil
Crystal structure of Sulfolobus solfataricus diphosphomevalonate decarboxylase in complex with ATP-gamma-S
分子名称: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, ADENOSINE MONOPHOSPHATE, Diphosphomevalonate decarboxylase, ...
著者Unno, H, Hemmi, H, Hattori, A.
登録日2016-07-13
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Single Amino Acid Mutation Converts (R)-5-Diphosphomevalonate Decarboxylase into a Kinase
J. Biol. Chem., 292, 2017
5GME
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BU of 5gme by Molmil
Crystal structure of Sulfolobus solfataricus Diphosphomevalonate decarboxylase in complex with ADP
分子名称: (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Unno, H, Hemmi, H, Hattori, A.
登録日2016-07-13
公開日2016-12-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Single Amino Acid Mutation Converts (R)-5-Diphosphomevalonate Decarboxylase into a Kinase
J. Biol. Chem., 292, 2017
6UVC
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BU of 6uvc by Molmil
Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
分子名称: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021

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