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PDB: 40736 件
8GBN
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BU of 8gbn by Molmil
Structure of Apo Human SIRT5 P114T Mutant
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2023-02-26
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
8GBL
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BU of 8gbl by Molmil
Structure of Apo Human SIRT5
分子名称: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2023-02-26
公開日2024-06-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice.
Iscience, 27, 2024
4U54
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BU of 4u54 by Molmil
IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR
分子名称: Importin subunit alpha-1, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine
著者Stewart, M, Valkov, E, Holvey, R.S.
登録日2014-07-24
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
5TXL
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BU of 5txl by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG) P*CP*GP*CP*CP*GP)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
4U7Y
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BU of 4u7y by Molmil
Structure of the complex of VPS4B MIT and IST1 MIM
分子名称: IST1 homolog, Vacuolar protein sorting-associated protein 4B
著者Guo, E.Z, Xu, Z.
登録日2014-07-31
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Distinct Mechanisms of Recognizing Endosomal Sorting Complex Required for Transport III (ESCRT-III) Protein IST1 by Different Microtubule Interacting and Trafficking (MIT) Domains.
J.Biol.Chem., 290, 2015
4XVW
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BU of 4xvw by Molmil
Crystal structure of Proteus mirabilis ScsC in a compact conformation
分子名称: DsbA-like protein
著者Kurth, F, Furlong, E.J, Premkumar, L, Martin, J.L.
登録日2015-01-27
公開日2016-06-08
最終更新日2022-02-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A shape-shifting redox foldase contributes to Proteus mirabilis copper resistance.
Nat Commun, 8, 2017
7JVT
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BU of 7jvt by Molmil
Crystal structure of a lambda-186 hybrid repressor
分子名称: OL1 bottom, OL1 top, Repressor protein CI
著者Truong, J.Q, Bruning, J.B, Shearwin, K.E.
登録日2020-08-23
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Crystal structure of a hybrid lambda-186 repressor
To Be Published
6OM6
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BU of 6om6 by Molmil
Structure of trans-translation inhibitor bound to E. coli 70S ribosome with P site tRNA
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Hoffer, E.D, Mehrani, A, Keiler, K.C, Stagg, S.M, Dunham, C.M.
登録日2019-04-18
公開日2021-02-10
最終更新日2021-09-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献trans-Translation inhibitors bind to a novel site on the ribosome and clear Neisseria gonorrhoeae in vivo.
Nat Commun, 12, 2021
6S34
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BU of 6s34 by Molmil
Zinc free, dimeric human insulin determined to 1.35 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, Insulin A chain, Insulin B chain
著者Johansson, E.
登録日2019-06-24
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Zinc free, dimeric human insulin determined to 1.35 Angstrom resolution
Not Published
4U2U
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BU of 4u2u by Molmil
Bak domain swapped dimer induced by BidBH3 with CHAPS
分子名称: Bcl-2 homologous antagonist/killer
著者Brouwer, J.M, Colman, P.M, Czabotar, P.E.
登録日2014-07-18
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers.
Mol.Cell, 55, 2014
4U5U
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BU of 4u5u by Molmil
IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR
分子名称: Importin subunit alpha-1, N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide
著者Stewart, M, Valkov, E, Holvey, R.S.
登録日2014-07-25
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
4U58
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BU of 4u58 by Molmil
IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR
分子名称: Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide
著者Stewart, M, Valkov, E, Holvey, R.S.
登録日2014-07-24
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
4U5O
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BU of 4u5o by Molmil
IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR
分子名称: Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzyl]-D-lysinamide
著者Stewart, M, Valkov, E, Holvey, R.S.
登録日2014-07-25
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
5JN9
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BU of 5jn9 by Molmil
Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
著者Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日2016-04-29
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
5C7D
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BU of 5c7d by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17
分子名称: (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
登録日2015-06-24
公開日2015-08-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
8CBR
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BU of 8cbr by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BDM-2
分子名称: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
登録日2023-01-25
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBU
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BU of 8cbu by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT884
分子名称: (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
登録日2023-01-25
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CBV
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BU of 8cbv by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916
分子名称: (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
登録日2023-01-25
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
5TXN
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BU of 5txn by Molmil
STRUCTURE OF Q151M MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
6P7J
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BU of 6p7j by Molmil
Crystal structure of Latency Associated Peptide unbound to TGF-beta1
分子名称: Transforming growth factor beta-1 proprotein
著者Stachowski, T.R, Snell, M.E, Snell, E.H.
登録日2019-06-05
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Structural insights into conformational switching in latency-associated peptide between transforming growth factor beta-1 bound and unbound states
Iucrj, 7, 2020
8CBT
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BU of 8cbt by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872
分子名称: (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
登録日2023-01-25
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8EGW
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BU of 8egw by Molmil
Complex of Fat4(EC1-4) bound to Dchs1(EC1-3)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Medina, E, Luca, V.C.
登録日2022-09-13
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the planar cell polarity cadherins Fat4 and Dachsous1.
Nat Commun, 14, 2023
8CBS
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BU of 8cbs by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871
分子名称: (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
登録日2023-01-25
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
5JN8
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BU of 5jn8 by Molmil
Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ...
著者Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日2016-04-29
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
6BAP
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BU of 6bap by Molmil
Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, T289H mutant
分子名称: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Schmidt, M, Stojkovic, E.
登録日2017-10-14
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018

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件を2024-07-31に公開中

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