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3KFP
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BU of 3kfp by Molmil
HIV Protease (PR) with inhibitor TL-3 bound, and DMSOs in exo site
分子名称: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Protease, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KF0
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BU of 3kf0 by Molmil
HIV Protease with fragment 4D9 bound
分子名称: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D, Perryman, A.L.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFS
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BU of 3kfs by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 2F4 in the outside/top of flap
分子名称: 1-benzothiophen-2-ylacetic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2009-10-28
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KFN
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BU of 3kfn by Molmil
HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking
分子名称: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Stout, C.D.
登録日2009-10-27
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
4NNG
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BU of 4nng by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4NNH
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BU of 4nnh by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
3KUN
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BU of 3kun by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
登録日2009-11-27
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
3KUO
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BU of 3kuo by Molmil
X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S.
登録日2009-11-27
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond.
Acta Crystallogr.,Sect.D, 66, 2010
4NNI
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BU of 4nni by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1, PYRAZINE-2-CARBOXYLIC ACID
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4NNK
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BU of 4nnk by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
2M2J
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BU of 2m2j by Molmil
Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG).
分子名称: Putative periplasmic protein
著者Houliston, S, Yee, A, Lemak, A, Garcia, M, Wu, B, Savchenko, A, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG)
登録日2012-12-21
公開日2013-05-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
4MFI
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BU of 4mfi by Molmil
Crystal structure of Mycobacterium tuberculosis UgpB
分子名称: Sn-glycerol-3-phosphate ABC transporter substrate-binding protein UspB
著者Jiang, D, Bartlam, M, Rao, Z.
登録日2013-08-28
公開日2014-07-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural analysis of Mycobacterium tuberculosis ATP-binding cassette transporter subunit UgpB reveals specificity for glycerophosphocholine
Febs J., 281, 2014
8I60
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BU of 8i60 by Molmil
Crystal structure of GAS41 YEATS domain in complex with histone H3K27cr
分子名称: ALA-ARG-KCR-SER-ALA-PRO, GLYCEROL, SULFATE ION, ...
著者Konuma, T, Zhou, M.-M.
登録日2023-01-26
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone H3 lysine 27 crotonylation mediates gene transcriptional repression in chromatin.
Mol.Cell, 83, 2023
2MA8
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BU of 2ma8 by Molmil
Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109
分子名称: Putative secreted protein
著者Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-29
公開日2013-09-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
8IJK
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BU of 8ijk by Molmil
human KCNQ2-CaM-Ebio1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-02-27
公開日2024-01-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
7EPM
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BU of 7epm by Molmil
human LDHC complexed with NAD+ and ethylamino acetic acid
分子名称: 2-(ethylamino)-2-oxidanylidene-ethanoic acid, L-lactate dehydrogenase C chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Yu, Y, Chen, Q.
登録日2021-04-27
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of human LDHC4 as a potential target for anticancer drug discovery.
Acta Pharm Sin B, 12, 2022
7FC5
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BU of 7fc5 by Molmil
Crystal structure of SARS-CoV-2 RBD and horse ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1
著者Wang, X.Q, Lan, J, Ge, J.W.
登録日2021-07-13
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
登録日2021-04-14
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
5YVF
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BU of 5yvf by Molmil
Crystal structure of BFA1
分子名称: BFA1
著者Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L.
登録日2017-11-25
公開日2018-08-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1.
Plant Cell, 30, 2018
2JVA
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BU of 2jva by Molmil
NMR solution structure of peptidyl-tRNA hydrolase domain protein from Pseudomonas syringae pv. tomato. Northeast Structural Genomics Consortium target PsR211
分子名称: Peptidyl-tRNA hydrolase domain protein
著者Singarapu, K.K, Sukumaran, D, Parish, D, Eletsky, A, Zhang, Q, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Huang, Y.J, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2007-09-14
公開日2007-10-02
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献NMR structure of the peptidyl-tRNA hydrolase domain from Pseudomonas syringae expands the structural coverage of the hydrolysis domains of class 1 peptide chain release factors.
Proteins, 71, 2008
7FC3
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BU of 7fc3 by Molmil
structure of NL63 receptor-binding domain complexed with horse ACE2
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, Angiotensin-converting enzyme, ...
著者Wang, X.Q, Ge, J.W, Lan, J.
登録日2021-07-13
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
7F29
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BU of 7f29 by Molmil
Cryo-EM structure of the fibril formed by disaccharide-modified amyloid-beta(1-42)
分子名称: ACETIC ACID, Amyloid-beta A4 protein, beta-D-galactopyranose-(1-3)-2-amino-2-deoxy-alpha-D-galactopyranose
著者Xia, W.C, Sun, Y.P, Liu, C.
登録日2021-06-10
公開日2022-07-13
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献O-Glycosylation Induces Amyloid-beta To Form New Fibril Polymorphs Vulnerable for Degradation
J.Am.Chem.Soc., 143, 2021
7FC6
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BU of 7fc6 by Molmil
Crystal structure of SARS-CoV RBD and horse ACE2
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, Angiotensin-converting enzyme, ...
著者Wang, X.Q, Lan, J, Ge, J.W.
登録日2021-07-13
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2.
Structure, 30, 2022
8HJB
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BU of 8hjb by Molmil
Crystal structure of Pseudomonas aeruginosa PvrA with coenzyme A
分子名称: COENZYME A, TetR family transcriptional regulator
著者Liang, H, Bartlam, M.
登録日2022-11-23
公開日2023-02-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa.
Nucleic Acids Res., 51, 2023
5Z9C
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BU of 5z9c by Molmil
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
分子名称: 8-methoxy-6-methylquinolin-4(1H)-one, Bromodomain-containing protein 4
著者Zeng, L, Zhou, M.-M.
登録日2018-02-02
公開日2018-02-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018

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件を2024-08-21に公開中

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