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6P8W
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BU of 6p8w by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
Descriptor: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C, Whittington, D.A.
Deposit date:2019-06-24
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6P8Y
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BU of 6p8y by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6P8X
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BU of 6p8x by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
5ULL
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BU of 5ull by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: REDUCED
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1997-01-09
Release date:1997-03-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
6H2Y
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BU of 6h2y by Molmil
human Fab 1E6 bound to fHbp variant 3 from Neisseria meningitidis serogroup B
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Veggi, D, Bianchi, F, Cozzi, R, Malito, E, Bottomley, M.J.
Deposit date:2018-07-17
Release date:2019-08-14
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Cocrystal structure of meningococcal factor H binding protein variant 3 reveals a new crossprotective epitope recognized by human mAb 1E6.
Faseb J., 33, 2019
7JU7
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BU of 7ju7 by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-08-19
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
3S2R
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BU of 3s2r by Molmil
ATChloroNEET (H87C mutant)
Descriptor: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER
Authors:livnah, O, Eisenberg-Domovich, Y, nechushtai, R.
Deposit date:2011-05-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
3S2Q
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BU of 3s2q by Molmil
The crystal structure of AT5g51720 (AT-NEET)
Descriptor: AT5g51720/MIO24_14, FE2/S2 (INORGANIC) CLUSTER, ZINC ION
Authors:Livnah, O, Eisenberg-Domovich, Y, Nechushtai, R.
Deposit date:2011-05-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Arabidopsis thaliana ChloroNEET, a Member of the New NEET Family of Human Proteins, is Involved in Development, Senescence and Iron Metabolism.
To be Published
5NLL
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BU of 5nll by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: OXIDIZED
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1996-12-23
Release date:1997-03-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
5NUL
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BU of 5nul by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K)
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1996-12-20
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
7UWG
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BU of 7uwg by Molmil
The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir)
Descriptor: HEXAETHYLENE GLYCOL, Molecular chaperone Tir, SULFATE ION
Authors:Manik, M.K, Nanson, J.D, Ve, T, Kobe, B.
Deposit date:2022-05-03
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
7UXU
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BU of 7uxu by Molmil
CryoEM structure of the TIR domain from AbTir in complex with 3AD
Descriptor: Molecular chaperone Tir, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Li, S, Nanson, J.D, Manik, M.K, Gu, W, Landsberg, M.J, Ve, T, Kobe, B.
Deposit date:2022-05-06
Release date:2022-09-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
6XZW
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BU of 6xzw by Molmil
Crystal structure of the meningococcal vaccine antigen fHbp in complex with a cross-reactive human Fab.
Descriptor: 1,2-ETHANEDIOL, Fab 4B3 (heavy chain), Fab 4B3 (light chain), ...
Authors:Veggi, D, Cozzi, R.
Deposit date:2020-02-05
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:4CMenB vaccine induces elite cross-protective human antibodies that compete with human factor H for binding to meningococcal fHbp.
Plos Pathog., 16, 2020
5CZB
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BU of 5czb by Molmil
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
Descriptor: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Pierra, C, Dousson, C, Augustin, M.
Deposit date:2015-07-31
Release date:2016-06-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
5LOD
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BU of 5lod by Molmil
Crystal structure of HhaI DNA methyltransferase in APO form
Descriptor: Modification methylase HhaI, SULFATE ION
Authors:Rondelet, G, Wouters, J.
Deposit date:2016-08-09
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition studies of DNA methyltransferases by maleimide derivatives of RG108 as non-nucleoside inhibitors.
Future Med Chem, 9, 2017
2MP8
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BU of 2mp8 by Molmil
NMR structure of NKR-5-3B
Descriptor: NKR-5-3B
Authors:Rosengren, K.J, Craik, D.J.
Deposit date:2014-05-13
Release date:2015-05-13
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Identification, Characterization, and Three-Dimensional Structure of the Novel Circular Bacteriocin, Enterocin NKR-5-3B, from Enterococcus faecium
Biochemistry, 54, 2015
7L5D
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BU of 7l5d by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-21
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
4NUL
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BU of 4nul by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: D58P OXIDIZED
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1996-12-13
Release date:1997-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
4NLL
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BU of 4nll by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57D OXIDIZED
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1996-12-16
Release date:1997-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
1PXC
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BU of 1pxc by Molmil
CRYSTAL STRUCTURES OF MUTANT PSEUDOMONAS AERUGINOSA P-HYDROXYBENZOATE HYDROXYLASE: THE TYR201PHE, TYR385PHE, AND ASN300ASP VARIANTS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Lah, M.S, Palfey, B.A, Schreuder, H.A, Ludwig, M.L.
Deposit date:1994-09-27
Release date:1995-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of mutant Pseudomonas aeruginosa p-hydroxybenzoate hydroxylases: the Tyr201Phe, Tyr385Phe, and Asn300Asp variants.
Biochemistry, 33, 1994
1PXB
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BU of 1pxb by Molmil
CRYSTAL STRUCTURES OF MUTANT PSEUDOMONAS AERUGINOSA P-HYDROXYBENZOATE HYDROXYLASE: THE TYR201PHE, TYR385PHE, AND ASN300ASP VARIANTS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Lah, M.S, Palfey, B.A, Schreuder, H.A, Ludwig, M.L.
Deposit date:1994-09-27
Release date:1995-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of mutant Pseudomonas aeruginosa p-hydroxybenzoate hydroxylases: the Tyr201Phe, Tyr385Phe, and Asn300Asp variants.
Biochemistry, 33, 1994
1UXY
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BU of 1uxy by Molmil
MURB MUTANT WITH SER 229 REPLACED BY ALA, COMPLEX WITH ENOLPYRUVYL-UDP-N-ACETYLGLUCOSAMINE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
Authors:Benson, T.E, Walsh, C.T, Hogle, J.M.
Deposit date:1996-11-08
Release date:1997-04-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution.
Biochemistry, 36, 1997
1PXA
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BU of 1pxa by Molmil
CRYSTAL STRUCTURES OF MUTANT PSEUDOMONAS AERUGINOSA P-HYDROXYBENZOATE HYDROXYLASE: THE TYR201PHE, TYR385PHE, AND ASN300ASP VARIANTS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Lah, M.S, Palfey, B.A, Schreuder, H.A, Ludwig, M.L.
Deposit date:1994-09-27
Release date:1995-02-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of mutant Pseudomonas aeruginosa p-hydroxybenzoate hydroxylases: the Tyr201Phe, Tyr385Phe, and Asn300Asp variants.
Biochemistry, 33, 1994
1FLA
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BU of 1fla by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57D REDUCED
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1996-12-18
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997

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數據於2024-10-09公開中

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