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PDB: 477 results

1GMO
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BU of 1gmo by Molmil
CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ...
Authors:Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E.
Deposit date:2001-09-20
Release date:2001-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor
Embo J., 20, 2001
6TH2
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BU of 6th2 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
6TGV
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BU of 6tgv by Molmil
Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN
Descriptor: 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Coenzyme A biosynthesis bifunctional protein CoaBC, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
4H7X
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BU of 4h7x by Molmil
Crystal structure of the tetratricopeptide repeat (TPR) motif of human dual specificity protein kinase Mps1
Descriptor: Dual specificity protein kinase TTK, LEAD (II) ION
Authors:Bolanos-Garcia, V.M, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2012-09-21
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional insights into the role of the N-terminal Mps1 TPR domain in the SAC (spindle assembly checkpoint).
Biochem.J., 448, 2012
4H7Y
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Crystal structure of the tetratricopeptide repeat (TPR) motif of human dual specificity protein kinase Mps1
Descriptor: Dual specificity protein kinase TTK
Authors:Bolanos-Garcia, V.M, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2012-09-21
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional insights into the role of the N-terminal Mps1 TPR domain in the SAC (spindle assembly checkpoint).
Biochem.J., 448, 2012
6THC
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BU of 6thc by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
Descriptor: (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
5FOS
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BU of 5fos by Molmil
HUMANISED MONOMERIC RADA IN COMPLEX WITH OLIGOMERISATION PEPTIDE
Descriptor: DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, PHOSPHATE ION
Authors:Sharpe, T, Moschetti, T, Fischer, G, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
Deposit date:2015-11-26
Release date:2016-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
5LUQ
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BU of 5luq by Molmil
Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs)
Descriptor: C-terminal fragment of KU80 (KU80ct194), DNA-dependent protein kinase catalytic subunit,DNA-dependent Protein Kinase Catalytic Subunit,DNA-dependent protein kinase catalytic subunit
Authors:Sibanda, B.L, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L.
Deposit date:2016-09-09
Release date:2017-02-15
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair.
Science, 355, 2017
5J4K
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BU of 5j4k by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid
Descriptor: 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ...
Authors:Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2016-04-01
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.346 Å)
Cite:Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
4G5Y
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BU of 4g5y by Molmil
Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C.
Deposit date:2012-07-18
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
2J66
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BU of 2j66 by Molmil
Structural characterisation of BtrK decarboxylase from butirosin biosynthesis
Descriptor: 1,2-ETHANEDIOL, BTRK, PYRIDOXAL-5'-PHOSPHATE
Authors:Popovic, B, Li, Y, Chirgadze, D.Y, Blundell, T.L, Spencer, J.B.
Deposit date:2006-09-26
Release date:2006-09-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Characterisation of Btrk Decarboxylase from Bacillus Circulans Butirosin Biosynthesis
To be Published
4G5F
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BU of 4g5f by Molmil
Pantothenate synthetase in complex with racemate (2S)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID and (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID
Descriptor: (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, (2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,2-ETHANEDIOL, ...
Authors:Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A.
Deposit date:2012-07-17
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
1RQF
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BU of 1rqf by Molmil
Structure of CK2 beta subunit crystallized in the presence of a p21WAF1 peptide
Descriptor: Casein kinase II beta chain, Disordered segment of Cyclin-dependent kinase inhibitor 1, UNKNOWN, ...
Authors:Bertrand, L, Sayed, M.F, Pei, X.-Y, Parisini, E, Dhanaraj, V, Bolanos-Garcia, V.M, Allende, J.E, Blundell, T.L.
Deposit date:2003-12-05
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of the regulatory subunit of CK2 in the presence of a p21WAF1 peptide demonstrates flexibility of the acidic loop.
Acta Crystallogr.,Sect.D, 60, 2004
3TM7
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BU of 3tm7 by Molmil
Processed Aspartate Decarboxylase Mutant with Asn72 mutated to Ala
Descriptor: Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, SULFATE ION
Authors:Webb, M.E, Lobley, C.M.C, Soliman, F, Kilkenny, M.L, Smith, A.G, Abell, C, Blundell, T.L.
Deposit date:2011-08-31
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Escherichia coli aspartate alpha-decarboxylase Asn72Ala: probing the role of Asn72 in pyruvoyl cofactor formation
Acta Crystallogr.,Sect.F, 68, 2012
1GMN
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BU of 1gmn by Molmil
CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR
Authors:Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E.
Deposit date:2001-09-19
Release date:2001-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor
Embo J., 20, 2001
1GP9
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BU of 1gp9 by Molmil
A New Crystal Form of the Nk1 Splice Variant of Hgf/Sf Demonstrates Extensive Hinge Movement and Suggests that the Nk1 Dimer Originates by Domain Swapping
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR
Authors:Watanabe, K, Chirgadze, D.Y, Lietha, D, Gherardi, E, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A New Crystal Form of the Nk1 Splice Variant of Hgf/Sf Demonstrates Extensive Hinge Movement and Suggests that the Nk1 Dimer Originates by Domain Swapping
J.Mol.Biol., 319, 2002
6D4V
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BU of 6d4v by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 22 (VCC061422)
Descriptor: 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4R
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BU of 6d4r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4U
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BU of 6d4u by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664)
Descriptor: 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4W
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BU of 6d4w by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)
Descriptor: 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4T
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BU of 6d4t by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054)
Descriptor: (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4S
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BU of 6d4s by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
5L3K
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Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a ternary complex with ADP and fructose-6-phosphate
Descriptor: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
3N7A
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BU of 3n7a by Molmil
Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2
Descriptor: 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL
Authors:Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L.
Deposit date:2010-05-26
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
2Q1T
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BU of 2q1t by Molmil
Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+ and UDP
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, URIDINE-5'-DIPHOSPHATE
Authors:Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L.
Deposit date:2007-05-25
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
J.Mol.Biol., 374, 2007

221051

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