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3HF7
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BU of 3hf7 by Molmil
The Crystal Structure of a CBS-domain Pair with Bound AMP from Klebsiella pneumoniae to 2.75A
Descriptor: ADENOSINE MONOPHOSPHATE, uncharacterized CBS-domain protein
Authors:Stein, A.J, Nocek, B, Wu, R, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-11
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of a CBS-domain Pair with Bound AMP from Klebsiella pneumoniae to 2.75A
To be Published
3HFG
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BU of 3hfg by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor
Descriptor: (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bard, J, Svenson, K.
Deposit date:2009-05-11
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
2GDE
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BU of 2gde by Molmil
Thrombin in complex with inhibitor
Descriptor: (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ...
Authors:Xue, Y.
Deposit date:2006-03-16
Release date:2007-03-20
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Total synthesis and structural confirmation of chlorodysinosin A.
J.Am.Chem.Soc., 128, 2006
2GDQ
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BU of 2gdq by Molmil
Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
Descriptor: yitF
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Emtage, S, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Burley, S.K, Sali, A, Babbitt, P, Pieper, U, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-03-16
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
To be Published
4OM4
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BU of 4om4 by Molmil
Crystal structure of CTX A2 from Taiwan Cobra (Naja naja atra)
Descriptor: Cytotoxin 2
Authors:Lin, C.C, Chang, C.I, Wu, W.G.
Deposit date:2014-01-26
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Endocytotic Routes of Cobra Cardiotoxins Depend on Spatial Distribution of Positively Charged and Hydrophobic Domains to Target Distinct Types of Sulfated Glycoconjugates on Cell Surface.
J.Biol.Chem., 289, 2014
3HKK
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BU of 3hkk by Molmil
Structure of human Leukotriene C4 synthase in complex with glutathione sulfonate
Descriptor: GLUTATHIONE SULFONIC ACID, Leukotriene C4 synthase, PALMITIC ACID, ...
Authors:Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2009-05-24
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pre-steady state kinetics of human Leukotriene C4 synthase
To be Published
3HIS
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BU of 3his by Molmil
Crystal structure of Saporin-L1 from Saponaria officinalis
Descriptor: Vacuolar saporin
Authors:Ho, M, Sturm, M.B, Almo, S.C, Schramm, V.L.
Deposit date:2009-05-20
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins.
Proc.Natl.Acad.Sci.USA, 106, 2009
4ON3
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BU of 4on3 by Molmil
Crystal structure of human sorting nexin 10 (SNX10)
Descriptor: NITRATE ION, PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Xu, T, Xu, J, Wang, Q, Liu, J.
Deposit date:2014-01-28
Release date:2014-09-24
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human SNX10 reveals insights into its role in human autosomal recessive osteopetrosis.
Proteins, 82, 2014
3HJ5
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BU of 3hj5 by Molmil
Human prion protein variant V129 domain swapped dimer
Descriptor: Major prion protein
Authors:Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C.
Deposit date:2009-05-20
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
2G60
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BU of 2g60 by Molmil
Structure of anti-FLAG M2 Fab domain
Descriptor: anti-FLAG M2 Fab heavy chain, anti-FLAG M2 Fab light chain
Authors:Roosild, T.P.
Deposit date:2006-02-23
Release date:2006-09-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of anti-FLAG M2 Fab domain and its use in the stabilization of engineered membrane proteins.
Acta Crystallogr.,Sect.F, 62, 2006
3V3F
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BU of 3v3f by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Fisher, S.Z, McKenna, R.
Deposit date:2011-12-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3HII
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BU of 3hii by Molmil
Crystal structure of human diamine oxidase in complex with the inhibitor pentamidine
Descriptor: 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, ...
Authors:McGrath, A.P, Guss, J.M.
Deposit date:2009-05-20
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Structure and inhibition of human diamine oxidase
Biochemistry, 48, 2009
3V3J
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BU of 3v3j by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Fisher, S.Z, McKenna, R.
Deposit date:2011-12-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
3HKO
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BU of 3hko by Molmil
Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
Descriptor: Calcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands, GLYCEROL, MAGNESIUM ION, ...
Authors:Wernimont, A.K, Hutchinson, A, Wasney, G, Vedadi, M, MacKenzie, F, Kozieradzki, I, Cossar, D, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Botchkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-05-25
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40
To be Published
3HQY
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BU of 3hqy by Molmil
Discovery of novel inhibitors of PDE10A
Descriptor: 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline, MAGNESIUM ION, SULFATE ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2009-06-08
Release date:2009-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
3V4Z
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BU of 3v4z by Molmil
D-alanine--D-alanine ligase from Yersinia pestis
Descriptor: D-alanine--D-alanine ligase, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
Authors:Osipiuk, J, Nocek, B, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-12-15
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:D-alanine--D-alanine ligase from Yersinia pestis.
To be Published
3V62
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BU of 3v62 by Molmil
Structure of the S. cerevisiae Srs2 C-terminal domain in complex with PCNA conjugated to SUMO on lysine 164
Descriptor: ATP-dependent DNA helicase SRS2, N-ETHYLMALEIMIDE, Proliferating cell nuclear antigen, ...
Authors:Armstrong, A.A, Mohideen, F, Lima, C.D.
Deposit date:2011-12-18
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recognition of SUMO-modified PCNA requires tandem receptor motifs in Srs2.
Nature, 483, 2012
3HR8
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BU of 3hr8 by Molmil
Crystal Structure of Thermotoga maritima RecA
Descriptor: Protein recA
Authors:Lee, S, Kim, T.G, Jeong, E.-Y, Ban, C, Jeon, W.-J, Min, K.I, Song, K.-M, Heo, S.-D, Ku, J.K.
Deposit date:2009-06-09
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of RecA Protein from Thermotoga maritima MSB8
to be published
4OJ8
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BU of 4oj8 by Molmil
Crystal structure of carbapenem synthase in complex with (3S,5S)-carbapenam
Descriptor: (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (5R)-carbapenem-3-carboxylate synthase, 2-OXOGLUTARIC ACID, ...
Authors:Boal, A.K, Rosenzweig, A.C.
Deposit date:2014-01-20
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of the C5 stereoinversion reaction in the biosynthesis of carbapenem antibiotics.
Science, 343, 2014
3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
Descriptor: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
4OKG
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BU of 4okg by Molmil
LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
Descriptor: 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
Authors:Olivier, N.B, Lahiri, S.D, Prince, D.B.
Deposit date:2014-01-22
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
2GC0
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BU of 2gc0 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with 5-phospho-D-arabinonohydroxamate and zinc
Descriptor: 5-PHOSPHO-D-ARABINOHYDROXAMIC ACID, Glucose-6-phosphate isomerase, ZINC ION
Authors:Berrisford, J.M, Rice, D.W, Baker, P.J.
Deposit date:2006-03-13
Release date:2006-04-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
2G7Y
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BU of 2g7y by Molmil
Human Cathepsin S with inhibitor CRA-16981
Descriptor: (1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE, Cathepsin S
Authors:Somoza, J.R.
Deposit date:2006-03-01
Release date:2006-09-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Cathepsin S with inhibitor CRA-16981
To be Published
2FY3
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BU of 2fy3 by Molmil
Structures of ligand bound human choline acetyltransferase provides insight into regulation of acetylcholine synthesis
Descriptor: CHOLINE ION, Choline O-acetyltransferase, GLYCEROL
Authors:Kim, A.R, Rylett, R.J, Shilton, B.H.
Deposit date:2006-02-07
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Substrate binding and catalytic mechanism of human choline acetyltransferase.
Biochemistry, 45, 2006

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