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

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
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
2IDM
DownloadVisualize
BU of 2idm by Molmil
2.00 A Structure of T87I/Y106W Phosphono-CheY
Descriptor: ACETATE ION, Chemotaxis protein cheY
Authors:Halkides, C.J, Haas, R.M, McAdams, K.A, Casper, E.S, Santarsiero, B.D, Mesecar, A.D.
Deposit date:2006-09-15
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 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
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
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
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
4P61
DownloadVisualize
BU of 4p61 by Molmil
CHICKEN TRIOSEPHOSPHATE ISOMERASE WITH LOOP6 MUTATIONS, V167P AND W168E.
Descriptor: Triosephosphate isomerase
Authors:Pegan, S.D, Mesecar, A.D.
Deposit date:2014-03-21
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Enzyme architecture: the effect of replacement and deletion mutations of loop 6 on catalysis by triosephosphate isomerase.
Biochemistry, 53, 2014
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
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
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
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
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
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
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
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
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
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
3OX3
DownloadVisualize
BU of 3ox3 by Molmil
X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2-methoxy-1H-dipyrido[2,3-a:3',2'-e]pyrrolizin-11-yl)ethyl]furan-2-carboxamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Pegan, S.D, Sturdy, M, Ferry, G, Delagrange, P, Boutin, J.A, Mesecar, A.D.
Deposit date:2010-09-21
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
6NV9
DownloadVisualize
BU of 6nv9 by Molmil
BACE1 in complex with a macrocyclic inhibitor
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 1, SULFATE ION
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-02-04
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
6NW3
DownloadVisualize
BU of 6nw3 by Molmil
BACE1 in complex with a macrocyclic inhibitor
Descriptor: Beta-secretase 1, 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, SULFATE ION
Authors:Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
Deposit date:2019-02-05
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors.
Biochemistry, 58, 2019
6NOZ
DownloadVisualize
BU of 6noz by Molmil
X-ray structure of PEDV papain-like protease 2
Descriptor: GLYCEROL, Polyprotein, ZINC ION
Authors:Clasman, J.C, Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-16
Release date:2020-01-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evaluating ubiquitin specificity of papain-like protease 2 from alphacoronaviruses FIPV and PEDV using structure-guided engineering
To Be Published

221716

건을2024-06-26부터공개중

PDB statisticsPDBj update infoContact PDBjnumon