Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 76 results

2ZC1
DownloadVisualize
BU of 2zc1 by Molmil
Organophosphorus Hydrolase from Deinococcus radiodurans
Descriptor: BROMIDE ION, COBALT (II) ION, Phosphotriesterase
Authors:Larsen, S.D, Hawwa, R, Ratia, K, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2007-11-02
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-Ray Structural Insights into a Phosphotriesterase
to be published
2ALV
DownloadVisualize
BU of 2alv by Molmil
X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors
Descriptor: N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab
Authors:Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D.
Deposit date:2005-08-08
Release date:2006-08-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.
J.Med.Chem., 48, 2005
2ID9
DownloadVisualize
BU of 2id9 by Molmil
1.85 A Structure of T87I/Y106W Phosphono-CheY
Descriptor: Chemotaxis protein cheY
Authors:Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2006-09-14
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
2ID7
DownloadVisualize
BU of 2id7 by Molmil
1.75 A Structure of T87I Phosphono-CheY
Descriptor: Chemotaxis protein cheY
Authors:Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2006-09-14
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structures of T87I phosphono-CheY and T87I/Y106W phosphono-CheY help to explain their binding affinities to the FliM and CheZ peptides.
Arch.Biochem.Biophys., 479, 2008
4DEL
DownloadVisualize
BU of 4del by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
Descriptor: ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ...
Authors:Pegan, S.D, Mesecar, A.D.
Deposit date:2012-01-20
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
3EKZ
DownloadVisualize
BU of 3ekz by Molmil
Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
Deposit date:2008-09-19
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
2FE8
DownloadVisualize
BU of 2fe8 by Molmil
SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme
Descriptor: BROMIDE ION, Replicase polyprotein 1ab, SULFATE ION, ...
Authors:Ratia, K, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2005-12-15
Release date:2006-03-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GZM
DownloadVisualize
BU of 2gzm by Molmil
Crystal Structure of the Glutamate Racemase from Bacillus anthracis
Descriptor: D-GLUTAMIC ACID, Glutamate racemase
Authors:May, M, Santarsiero, B.D, Johnson, M.E, Mesecar, A.D.
Deposit date:2006-05-11
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design.
J.Mol.Biol., 371, 2007
4M5W
DownloadVisualize
BU of 4m5w by Molmil
Crystal structure of the USP7/HAUSP catalytic domain
Descriptor: BROMIDE ION, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Molland, K.L, Mesecar, A.D, Zhou, Q.
Deposit date:2013-08-08
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:A 2.2 angstrom resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4GQI
DownloadVisualize
BU of 4gqi by Molmil
Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide, ...
Authors:Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S.
Deposit date:2012-08-23
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
4GR9
DownloadVisualize
BU of 4gr9 by Molmil
Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ...
Authors:Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S.
Deposit date:2012-08-24
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
4FRR
DownloadVisualize
BU of 4frr by Molmil
X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
Descriptor: 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine, GLYCEROL, Soluble acetylcholine receptor
Authors:Mukhopadhyay, S, Mesecar, A.D.
Deposit date:2012-06-26
Release date:2013-10-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
To be Published
3EJ3
DownloadVisualize
BU of 3ej3 by Molmil
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
Descriptor: ACETATE ION, Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, ...
Authors:Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
Deposit date:2008-09-17
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3EJ9
DownloadVisualize
BU of 3ej9 by Molmil
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
Descriptor: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase
Authors:Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
Deposit date:2008-09-17
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3EKL
DownloadVisualize
BU of 3ekl by Molmil
Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
Deposit date:2008-09-19
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
3EJ7
DownloadVisualize
BU of 3ej7 by Molmil
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
Descriptor: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, SULFATE ION
Authors:Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
Deposit date:2008-09-17
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3ELF
DownloadVisualize
BU of 3elf by Molmil
Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
Deposit date:2008-09-22
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
3UXH
DownloadVisualize
BU of 3uxh by Molmil
Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of Quinone Reductase 2
Descriptor: 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Cushman, M, Mesecar, A.D, Fanwick, P.E, Narasimha, R, Jensen, K.C.
Deposit date:2011-12-05
Release date:2012-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
3UXE
DownloadVisualize
BU of 3uxe by Molmil
Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2
Descriptor: 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Reddy, N.P, Jensen, K.C, Mesecar, A.D, Fanwick, P.E, Cushman, M.
Deposit date:2011-12-05
Release date:2012-01-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2.
J.Med.Chem., 55, 2012
4ZRO
DownloadVisualize
BU of 4zro by Molmil
2.1 A X-Ray Structure of FIPV-3CLpro bound to covalent inhibitor
Descriptor: 3C-like proteinase, Bounded inhibitor of N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide, DIMETHYL SULFOXIDE
Authors:St John, S.E, Mesecar, A.D.
Deposit date:2015-05-12
Release date:2015-10-14
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.0566 Å)
Cite:X-ray structure and inhibition of the feline infectious peritonitis virus 3C-like protease: Structural implications for drug design.
Bioorg.Med.Chem.Lett., 25, 2015
6UJ0
DownloadVisualize
BU of 6uj0 by Molmil
Unbound BACE2 mutant structure
Descriptor: Beta-secretase 2, unidentified polypeptide
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-10-01
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
4YPT
DownloadVisualize
BU of 4ypt by Molmil
X-ray structural of three tandemly linked domains of nsp3 from murine hepatitis virus at 2.60 Angstroms resolution
Descriptor: GLYCEROL, Replicase polyprotein 1ab, ZINC ION
Authors:Chen, Y, Savinov, S.N, Mielech, A.M, Cao, T, Baker, S.C, Mesecar, A.D.
Deposit date:2015-03-13
Release date:2015-08-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6009 Å)
Cite:X-ray Structural and Functional Studies of the Three Tandemly Linked Domains of Non-structural Protein 3 (nsp3) from Murine Hepatitis Virus Reveal Conserved Functions.
J.Biol.Chem., 290, 2015
4XMB
DownloadVisualize
BU of 4xmb by Molmil
Crystal structure of 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide bound to human Keap1 Kelch domain
Descriptor: 2,2'-(naphthalene-1,4-diylbis(((4-methoxyphenyl)sulfonyl)azanediyl))diacetamide, Kelch-like ECH-associated protein 1
Authors:Luciano, J.P, Ryuzoji, A.F, Mesecar, A.D.
Deposit date:2015-01-14
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.428 Å)
Cite:Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.
Eur.J.Med.Chem., 103, 2015
6UJ1
DownloadVisualize
BU of 6uj1 by Molmil
BACE2 mutant in complex with a macrocyclic compound
Descriptor: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-10-02
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
4YLU
DownloadVisualize
BU of 4ylu by Molmil
X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor
Descriptor: ACETATE ION, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ORF1a protein
Authors:Tomar, S, Mesecar, A.D.
Deposit date:2015-03-05
Release date:2015-06-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015

222926

数据于2024-07-24公开中

PDB statisticsPDBj update infoContact PDBjnumon