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6B1B
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STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme)
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide
著者Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P.
登録日2017-09-18
公開日2019-05-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
2X2I
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Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase with acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2010-01-13
公開日2011-01-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
5YZ3
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Crystal structure of T2R-TTL-28 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Yu, Y, Chen, Q.
登録日2017-12-12
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
6T2E
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6T2F
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6T2D
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
2X2H
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BU of 2x2h by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase
分子名称: ACETATE ION, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, CHLORIDE ION, ...
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2010-01-13
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
2X2J
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Crystal structure of the Gracilariopsis lemaneiformis alpha- 1,4-glucan lyase with deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, CHLORIDE ION, ...
著者Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
登録日2010-01-13
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
3OCG
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P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor
分子名称: 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-08-10
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献5-Amino-pyrazoles as potent and selective p38α inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
1IDZ
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BU of 1idz by Molmil
STRUCTURE OF MYB TRANSFORMING PROTEIN, NMR, 20 STRUCTURES
分子名称: MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3
著者Furukawa, K, Oda, M, Nakamura, H.
登録日1996-08-15
公開日1996-12-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A small engineered protein lacks structural uniqueness by increasing the side-chain conformational entropy.
Proc.Natl.Acad.Sci.USA, 93, 1996
1IDY
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BU of 1idy by Molmil
STRUCTURE OF MYB TRANSFORMING PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: MOUSE C-MYB DNA-BINDING DOMAIN REPEAT 3
著者Furukawa, K, Oda, M, Nakamura, H.
登録日1996-08-15
公開日1996-12-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A small engineered protein lacks structural uniqueness by increasing the side-chain conformational entropy.
Proc.Natl.Acad.Sci.USA, 93, 1996
8ZBQ
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BU of 8zbq by Molmil
Local map of Omicron Subvariant JN.1 RBD with ACE2
分子名称: Angiotensin-converting enzyme 2, Spike protein S2'
著者Yan, R.H, Yang, H.N.
登録日2024-04-27
公開日2024-09-18
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structural basis for the evolution and antibody evasion of SARS-CoV-2 BA.2.86 and JN.1 subvariants.
Nat Commun, 15, 2024
4XX4
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Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
分子名称: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4XX3
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Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
6AFR
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Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
分子名称: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
著者Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
4YDV
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BU of 4ydv by Molmil
STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS
分子名称: HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606)
著者Nicely, N.I, Pemble IV, C.W.
登録日2015-02-23
公開日2015-08-12
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques.
Plos Pathog., 11, 2015
3L8X
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P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor
分子名称: Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
著者Sack, J.S.
登録日2010-01-04
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1JL4
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CRYSTAL STRUCTURE OF THE HUMAN CD4 N-TERMINAL TWO DOMAIN FRAGMENT COMPLEXED TO A CLASS II MHC MOLECULE
分子名称: H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, A-K ALPHA CHAIN, A-K BETA CHAIN, ...
著者Wang, J.-H, Meijers, R, Reinherz, E.L.
登録日2001-07-15
公開日2001-09-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Crystal structure of the human CD4 N-terminal two-domain fragment complexed to a class II MHC molecule.
Proc.Natl.Acad.Sci.USA, 98, 2001
5IIE
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STRUCTURE OF THE UNLIGANDED ANTI-HIV ANTIBODY DH501 THAT BINDS GP120 V3 GLYCAN AND THE BASE OF V3
分子名称: antibody DH501 FabH chain, antibody DH501 light chain
著者Nicely, N.I, Haynes, B.F.
登録日2016-03-01
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Vaccine Elicitation of High Mannose-Dependent Neutralizing Antibodies against the V3-Glycan Broadly Neutralizing Epitope in Nonhuman Primates.
Cell Rep, 18, 2017
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
分子名称: Disks large homolog 4, Synthesized GK inhibitor
著者Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
登録日2017-11-02
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
1L8R
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Structure of the Retinal Determination Protein Dachshund Reveals a DNA-Binding Motif
分子名称: Dachshund
著者Kim, S.S, Zhang, R, Braunstein, S.E, Joachimiak, A, Cvekl, A, Hegde, R.S.
登録日2002-03-21
公開日2002-06-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of the retinal determination protein Dachshund reveals a DNA binding motif.
Structure, 10, 2002
5C45
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Selective Small Molecule Inhibition of the FMN Riboswitch
分子名称: (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
著者Fischmann, T.O.
登録日2015-06-17
公開日2015-10-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Selective small-molecule inhibition of an RNA structural element.
Nature, 526, 2015
8H08
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SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7T9U
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Crystal structure of hSTING with an agonist (SHR169224)
分子名称: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
著者Chowdhury, R, Miller, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022

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