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3ZPS
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Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
登録日2013-03-01
公開日2013-11-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.
J.Med.Chem., 56, 2013
3ZPU
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Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
登録日2013-03-01
公開日2013-11-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
3ZPT
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BU of 3zpt by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
登録日2013-03-01
公開日2013-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
3ZZZ
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BU of 3zzz by Molmil
Crystal structure of a Raver1 PRI4 peptide in complex with polypyrimidine tract binding protein RRM2
分子名称: IODIDE ION, POLYPYRIMIDINE TRACT-BINDING PROTEIN 1, RIBONUCLEOPROTEIN PTB-BINDING 1
著者Joshi, A, Kotik-Kogan, O, Curry, S.
登録日2011-09-06
公開日2011-12-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystallographic Analysis of Polypyrimidine Tract-Binding Protein-Raver1 Interactions Involved in Regulation of Alternative Splicing.
Structure, 19, 2011
4UHP
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BU of 4uhp by Molmil
Crystal structure of the pyocin AP41 DNase-Immunity complex
分子名称: BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41
著者Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-03-25
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4UHQ
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BU of 4uhq by Molmil
Crystal structure of the pyocin AP41 DNase
分子名称: CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION
著者Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-03-25
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
分子名称: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Joshi, A, Bayliss, R.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
3ZZY
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BU of 3zzy by Molmil
Crystal structure of a Raver1 PRI3 peptide in complex with polypyrimidine tract binding protein RRM2
分子名称: POLYPYRIMIDINE TRACT-BINDING PROTEIN 1, RIBONUCLEOPROTEIN PTB-BINDING 1
著者Joshi, A, Kotik-Kogan, O, Curry, S.
登録日2011-09-06
公開日2011-12-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic Analysis of Polypyrimidine Tract-Binding Protein-Raver1 Interactions Involved in Regulation of Alternative Splicing.
Structure, 19, 2011
4CQ1
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BU of 4cq1 by Molmil
Crystal structure of the neuronal isoform of PTB
分子名称: CHLORIDE ION, POLYPYRIMIDINE TRACT-BINDING PROTEIN 2, ZINC ION
著者Joshi, A, Buckroyd, A.N, Curry, S.
登録日2014-02-10
公開日2014-02-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Solution and Crystal Structures of a C Terminal Fragment of the Neuronal Isoform of the Polypyrimidine Tract Binding Protein (Nptb)
Peerj, 2, 2014
4Z7G
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BU of 4z7g by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - apo
分子名称: SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Bayliss, R, Joshi, A.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
4BYJ
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BU of 4byj by Molmil
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4BYI
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BU of 4byi by Molmil
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
2PO8
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BU of 2po8 by Molmil
The structure of a two-disulfide intermediate of MCoTI-II
分子名称: MCoTI-II
著者Cemazar, M, Joshi, A, Mark, A.E, Craik, D.J, Daly, N.L.
登録日2007-04-26
公開日2008-05-06
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献The structure of a two-disulfide intermediate of MCoTI-II
To be Published
5ODW
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BU of 5odw by Molmil
Structure of the FpvAI-pyocin S2 complex
分子名称: Ferripyoverdine receptor, Pyocin-S2, SULFATE ION
著者White, P, Joshi, A, Kleanthous, C.
登録日2017-07-06
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Exploitation of an iron transporter for bacterial protein antibiotic import.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2CG5
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BU of 2cg5 by Molmil
Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A
分子名称: COENZYME A, FATTY ACID SYNTHASE, L-AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, ...
著者Bunkoczi, G, Joshi, A, Papagrigoriu, E, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Smith, S, Oppermann, U.
登録日2006-02-27
公開日2006-03-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanism and Substrate Recognition of Human Holo Acp Synthase.
Chem.Biol., 14, 2007
2NV3
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BU of 2nv3 by Molmil
Solution structure of L8A mutant of HIV-1 myristoylated matrix protein
分子名称: Gag polyprotein, MYRISTIC ACID
著者Saad, J.S, Loeliger, E, Luncsford, P, Liriano, M, Tai, J, Kim, A, Miller, J, Joshi, A, Freed, E.O, Summers, M.F.
登録日2006-11-10
公開日2007-02-06
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Point mutations in the HIV-1 matrix protein turn off the myristyl switch.
J.Mol.Biol., 366, 2007
2JMG
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BU of 2jmg by Molmil
Solution structure of V7R mutant of HIV-1 myristoylated matrix protein
分子名称: Gag polyprotein, MYRISTIC ACID
著者Saad, J.S, Loeliger, E, Luncsford, P, Liriano, M, Tai, J, Kim, A, Miller, J, Joshi, A, Freed, E.O, Summers, M.F.
登録日2006-11-11
公開日2007-02-06
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Point mutations in the HIV-1 matrix protein turn off the myristyl switch.
J.Mol.Biol., 366, 2007
2MJU
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BU of 2mju by Molmil
Solution structure of a C terminal fragment of the neuronal isoform of the polypyrimidine tract binding protein (nPTB)
分子名称: Polypyrimidine tract-binding protein 2
著者Esteve, V, Blatter, M, Allain, F.H.-T.
登録日2014-01-16
公開日2014-02-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution and crystal structures of a C-terminal fragment of the neuronal isoform of the polypyrimidine tract binding protein (nPTB).
PeerJ, 2, 2014
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-08-03
公開日2022-11-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
7MKM
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BU of 7mkm by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-24
公開日2021-05-12
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
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, SARS2-38 Fv heavy chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-24
公開日2021-05-12
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
6HX1
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BU of 6hx1 by Molmil
IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2
分子名称: 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Augustin, M.A, Krapp, S, Bayliss, R, Collins, I.
登録日2018-10-15
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
5EW5
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BU of 5ew5 by Molmil
Crystal Structure of Colicin E9 In Complex with Its Immunity Protein Im9
分子名称: Colicin-E9, Colicin-E9 immunity protein
著者Klein, A, Wojdyla, J.A, Kleanthous, C.
登録日2015-11-20
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and biophysical analysis of nuclease protein antibiotics.
Biochem.J., 473, 2016
7U0A
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BU of 7u0a by Molmil
Crystal Structure of C77G12 Fab in complex with SARS-CoV-2 S fusion peptide
分子名称: CHLORIDE ION, Heavy chain Fab C77G12, Light chain Fab C77G12, ...
著者Tortorici, M.A, Veesler, D.
登録日2022-02-17
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7U09
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BU of 7u09 by Molmil
Crystal Structure of C13B8 Fab in complex with SARS-CoV-2 S fusion peptide
分子名称: Heavy chain Fab C13B8, Light chain Fab C13B8, SARS-CoV-2 S fusion peptide
著者Tortorici, M.A, Veesler, D.
登録日2022-02-17
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022

 

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