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4JSV
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BU of 4jsv by Molmil
mTOR kinase structure, mechanism and regulation.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
1GUH
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BU of 1guh by Molmil
Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the MU and PI class enzymes
Descriptor: GLUTATHIONE S-TRANSFERASE A1-1, S-BENZYL-GLUTATHIONE
Authors:Sinning, I, Kleywegt, G.J, Jones, T.A.
Deposit date:1993-02-24
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure determination and refinement of human alpha class glutathione transferase A1-1, and a comparison with the Mu and Pi class enzymes.
J.Mol.Biol., 232, 1993
4JSX
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BU of 4jsx by Molmil
structure of mTORDeltaN-mLST8-Torin2 complex
Descriptor: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
1GOZ
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BU of 1goz by Molmil
Structural basis for the altered T-cell receptor binding specificty in a superantigenic staphylococcus aureus Enterotoxin-B mutant
Descriptor: ENTEROTOXIN TYPE B
Authors:Baker, M.D, Papageorgiou, A.C, Acharya, K.R.
Deposit date:2001-10-29
Release date:2002-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Role of Threonine 112 in a Superantigen Staphylococcus Aureus Enterotoxin B.
J.Biol.Chem., 277, 2002
4JSN
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BU of 4jsn by Molmil
structure of mTORdeltaN-mLST8 complex
Descriptor: Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
3NAY
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BU of 3nay by Molmil
PDK1 in complex with inhibitor MP6
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
Authors:Yan, Y, Munshi, S.K, Allison, T.
Deposit date:2010-06-02
Release date:2010-11-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
4JT6
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BU of 4jt6 by Molmil
structure of mTORDeltaN-mLST8-PI-103 complex
Descriptor: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, mLST8, mTOR
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
1FRO
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BU of 1fro by Molmil
HUMAN GLYOXALASE I WITH BENZYL-GLUTATHIONE INHIBITOR
Descriptor: LACTOYLGLUTATHIONE LYASE, S-BENZYL-GLUTATHIONE, ZINC ION
Authors:Cameron, A.D, Jones, T.A.
Deposit date:1997-02-25
Release date:1997-06-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human glyoxalase I--evidence for gene duplication and 3D domain swapping.
EMBO J., 16, 1997
4JSP
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BU of 4jsp by Molmil
structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JT5
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BU of 4jt5 by Molmil
mTORdeltaN-mLST8-pp242 complex
Descriptor: 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
8RSA
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BU of 8rsa by Molmil
CRYSTAL STRUCTURE OF TWO COVALENT NUCLEOSIDE DERIVATIVES OF RIBONUCLEASE A
Descriptor: 3'-DEOXY-3'-ACETAMIDO-THYMIDINE, RIBONUCLEASE A
Authors:Nachman, J, Wlodawer, A.
Deposit date:1989-08-28
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Biochemistry, 29, 1990
4MVA
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BU of 4mva by Molmil
1.43 Angstrom Resolution Crystal Structure of Triosephosphate Isomerase (tpiA) from Escherichia coli in Complex with Acetyl Phosphate.
Descriptor: 1,2-ETHANEDIOL, ACETYLPHOSPHATE, CHLORIDE ION, ...
Authors:Minasov, G, Kuhn, M.L, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-23
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
Plos One, 9, 2014
3NAX
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BU of 3nax by Molmil
PDK1 in complex with inhibitor MP7
Descriptor: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
Authors:Yan, Y, Munshi, S.K, Allison, T.
Deposit date:2010-06-02
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
4L68
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BU of 4l68 by Molmil
Structure of the psedudokinase domain of BIR2, an immune regulator of the RLK/Pelle family
Descriptor: 1,3-PROPANDIOL, Leucine-rich repeat protein kinase-like protein
Authors:Blaum, B.S, Stehle, T.
Deposit date:2013-06-12
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the pseudokinase domain of BIR2, a regulator of BAK1-mediated immune signaling in Arabidopsis.
J.Struct.Biol., 186, 2014
4MVJ
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BU of 4mvj by Molmil
2.85 Angstrom Resolution Crystal Structure of Glyceraldehyde 3-phosphate Dehydrogenase A (gapA) from Escherichia coli Modified by Acetyl Phosphate.
Descriptor: ACETATE ION, ACETYLPHOSPHATE, CHLORIDE ION, ...
Authors:Minasov, G, Kuhn, M, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-24
Release date:2014-04-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
Plos One, 9, 2014
2C4J
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BU of 2c4j by Molmil
Human glutathione-S-transferase M2-2 T210S mutant in complex with glutathione-styrene oxide conjugate
Descriptor: GLUTATHIONE S-TRANSFERASE MU 2, L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
Authors:Tars, K, Andersson, M, Ivarsson, Y, Olin, B, Mannervik, B.
Deposit date:2005-10-20
Release date:2005-10-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Alternative Mutations of a Positively Selected Residue Elicit Gain or Loss of Functionalities in Enzyme Evolution.
Proc.Natl.Acad.Sci.USA, 103, 2006
3ZRY
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BU of 3zry by Molmil
Rotor architecture in the F(1)-c(10)-ring complex of the yeast F-ATP synthase
Descriptor: ATP SYNTHASE CATALYTIC SECTOR F1 EPSILON SUBUNIT, ATP SYNTHASE SUBUNIT 9, MITOCHONDRIAL, ...
Authors:Giraud, M.-F, Dautant, A.
Deposit date:2011-06-21
Release date:2012-01-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Rotor Architecture in the Yeast and Bovine F(1)-C-Ring Complexes of F-ATP Synthase.
J.Struct.Biol., 177, 2012
1HCY
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BU of 1hcy by Molmil
CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARTHROPODAN HEMOCYANIN, COPPER (II) ION
Authors:Volbeda, A, Hol, W.G.J.
Deposit date:1991-05-15
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
1HC1
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BU of 1hc1 by Molmil
CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
Descriptor: ARTHROPODAN HEMOCYANIN, COPPER (II) ION
Authors:Volbeda, A, Hol, W.G.J.
Deposit date:1991-05-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
Descriptor: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A.
Deposit date:2020-08-19
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
7L12
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BU of 7l12 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 14
Descriptor: (5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L14
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BU of 7l14 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26
Descriptor: 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L13
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BU of 7l13 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21
Descriptor: (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L10
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BU of 7l10 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 4
Descriptor: 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-13
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L11
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BU of 7l11 by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5
Descriptor: 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase
Authors:Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-12-14
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021

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數據於2024-06-19公開中

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