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7SGZ
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BU of 7sgz by Molmil
Structure of the yeast Rad24-RFC loader bound to DNA and the closed 9-1-1 clamp
分子名称: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ...
著者Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
登録日2021-10-07
公開日2022-03-23
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022
9J0P
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BU of 9j0p by Molmil
Arrested elongation complex of mammalian RNA polymerase II with nucleosome (AEC2-nuc)
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者Naganuma, M, Kujirai, T, Ehara, H, Uejima, T, Ito, T, Goto, M, Aoki, M, Henmi, M, Miyamoto-Kohno, S, Shirouzu, M, Kurumizaka, H, Sekine, S.
登録日2024-08-02
公開日2025-02-05
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into promoter-proximal pausing of RNA polymerase II at +1 nucleosome.
Sci Adv, 11, 2025
6SMN
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BU of 6smn by Molmil
A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with methotrexate
分子名称: 1,2-ETHANEDIOL, METHOTREXATE, SERINE, ...
著者Ruszkowski, M, Sekula, B, Dauter, Z.
登録日2019-08-22
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
7TP4
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BU of 7tp4 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
9J0O
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BU of 9j0o by Molmil
Arrested elongation complex of mammalian RNA polymerase II with nucleosome (AEC1-nuc)
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者Naganuma, M, Kujirai, T, Ehara, H, Uejima, T, Ito, T, Goto, M, Aoki, M, Henmi, M, Miyamoto-Kohno, S, Shirouzu, M, Kurumizaka, H, Sekine, S.
登録日2024-08-02
公開日2025-02-05
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into promoter-proximal pausing of RNA polymerase II at +1 nucleosome.
Sci Adv, 11, 2025
8S2E
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BU of 8s2e by Molmil
Fab4251-DS-SOSIP complex
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 gp120, ...
著者Nortier, P, Perez, L.
登録日2024-02-17
公開日2024-07-03
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献RAIN: a Machine Learning-based identification for HIV-1 bNAbs.
Res Sq, 2024
5YTX
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BU of 5ytx by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCAACU
分子名称: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*AP*CP*U)-3')
著者Yang, X, Huang, Y.
登録日2017-11-20
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
5AXW
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BU of 5axw by Molmil
Crystal structure of Staphylococcus aureus Cas9 in complex with sgRNA and target DNA (TTGGGT PAM)
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, DNA (28-MER), ...
著者Nishimasu, H, Ishitani, R, Nureki, O.
登録日2015-08-01
公開日2015-09-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of Staphylococcus aureus Cas9.
Cell, 162, 2015
7C6G
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BU of 7c6g by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to gentiobiose
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-21
公開日2020-10-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
4EZ2
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BU of 4ez2 by Molmil
Crystal Structure of d(CCGGGACCGG)4 as a four-way junction at 1.6 angstrom resolution
分子名称: 5'-D(*CP*CP*GP*GP*GP*AP*CP*CP*GP*G)-3', SODIUM ION
著者Chakraborty, A, Mandal, P.K, Gautham, N.
登録日2012-05-02
公開日2012-10-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of d(CCGGGACCGG)(4) as a four-way junction at 1.6 A resolution: new insights into solvent interactions.
Acta Crystallogr.,Sect.F, 68, 2012
3M6Y
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BU of 3m6y by Molmil
Structure of 4-hydroxy-2-oxoglutarate aldolase from bacillus cereus at 1.45 a resolution.
分子名称: 4-Hydroxy-2-oxoglutarate aldolase, CALCIUM ION, CHLORIDE ION
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG)
登録日2010-03-16
公開日2010-04-07
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of 4-Hydroxy-2-Oxoglutarate Aldolase from Bacillus Cereus at 1.45 A Resolution.
To be Published
5B68
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BU of 5b68 by Molmil
Crystal structure of apo amylomaltase from Corynebacterium glutamicum
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-alpha-glucanotransferase, GLYCEROL, ...
著者Joo, S, Kim, S, Kim, K.-J.
登録日2016-05-25
公開日2016-08-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Amylomaltase from Corynebacterium glutamicum.
J.Agric.Food Chem., 64, 2016
6FT0
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BU of 6ft0 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, ...
著者Singh, A.K, Brown, D.G.
登録日2018-02-20
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-425
To be published
5VIU
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BU of 5viu by Molmil
Crystal Structure of Acetylornithine Aminotransferase from Elizabethkingia anophelis
分子名称: 1,2-ETHANEDIOL, Acetylornithine aminotransferase, CITRIC ACID
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2017-04-17
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Acetylornithine Aminotransferase from Elizabethkingia anophelis
to be published
7TDJ
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BU of 7tdj by Molmil
Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 1(Dataset-A)
分子名称: CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ...
著者Nayak, A.R, Samso, M.
登録日2021-12-31
公開日2022-03-09
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM.
Elife, 11, 2022
5ENC
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BU of 5enc by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
9GPC
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BU of 9gpc by Molmil
The crystal structure of ManDH5 E303Q mutant at 1.4 Angstroms Resolution - a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium
分子名称: DUF5060 domain-containing protein, GLYCEROL
著者Sivron, Y, Romano, A, Shoham, Y, Shoham, G.
登録日2024-09-07
公開日2025-09-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The crystal structure of ManDH5 E303Q mutant at 1.4 Angstroms Resolution - a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium
To Be Published
5I3V
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BU of 5i3v by Molmil
Crystal structure of BACE1 in complex with aminoquinoline compound 1
分子名称: (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2016-02-11
公開日2016-03-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
6FWU
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BU of 6fwu by Molmil
Crystal structure of human wild type beta-1,4-galactosyltransferase-1 (B4GalT1) in apo-closed dimeric form
分子名称: Beta-1,4-galactosyltransferase 1, NITRATE ION
著者Harrus, D, Kellokumpu, S, Glumoff, T.
登録日2018-03-07
公開日2018-10-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The dimeric structure of wild-type human glycosyltransferase B4GalT1.
PLoS ONE, 13, 2018
5BPY
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BU of 5bpy by Molmil
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
分子名称: 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2015-05-28
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Bioorg.Med.Chem.Lett., 25, 2015
9GPE
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BU of 9gpe by Molmil
ManDH5 E303Q in complex with mannotetraose after co-crystalliztion with mannotetraose at 1.6 angstroms resolution a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium
分子名称: DUF5060 domain-containing protein, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Sivron, Y, Romano, A, Shoham, Y, Shoham, G.
登録日2024-09-07
公開日2025-09-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献ManDH5 E303Q in complex with mannotetraose after co-crystalliztion with mannotetraose at 1.6 angstroms resolution a beta-D-Mannanase of GH5 family from Dictyoglomus thermophilium
To Be Published
3K2H
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BU of 3k2h by Molmil
Co-crystal structure of dihydrofolate reductase/thymidylate synthase from Babesia bovis with dUMP, Pemetrexed and NADP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-30
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.
Acta Crystallogr.,Sect.F, 67, 2011
7NQ7
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BU of 7nq7 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(1-phenylethoxy)benzamide
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
著者Chung, C.
登録日2021-03-01
公開日2021-03-24
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors.
J.Med.Chem., 64, 2021
5BNR
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BU of 5bnr by Molmil
E. coli Fabh with small molecule inhibitor 2
分子名称: 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3
著者Kazmirski, S.L, McKinney, D.C.
登録日2015-05-26
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
8UGT
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BU of 8ugt by Molmil
E. eligens beta-glucuronidase bound to UNC10206581-G
分子名称: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(methylamino)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline, Beta-glucuronidase, GLYCEROL, ...
著者Simpson, J.B, Redinbo, M.R.
登録日2023-10-06
公開日2024-07-24
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advanced piperazine-containing inhibitors target microbial beta-glucuronidases linked to gut toxicity.
Rsc Chem Biol, 5, 2024

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件を2025-10-15に公開中

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