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3KW6
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Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A
Descriptor: 26S protease regulatory subunit 8
Authors:Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-11-30
Release date:2009-12-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A
To be Published
3KV2
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HIGH RESOLUTION STRUCTURE OF HUMAN ARGINASE I IN COMPLEX WITH THE STRONG INHIBITOR N(omega)-hydroxy-nor-L-arginine (nor-NOHA)
Descriptor: Arginase-1, MANGANESE (II) ION, NOR-N-OMEGA-HYDROXY-L-ARGININE
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2009-11-28
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Inhibition of human arginase I by substrate and product analogues.
Arch.Biochem.Biophys., 496, 2010
3KXX
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Structure of the mutant Fibroblast Growth Factor receptor 1
Descriptor: Basic fibroblast growth factor receptor 1
Authors:Bae, J.H, Boggon, T.J, Tome, F, Mandiyan, V, Lax, I, Schlessinger, J.
Deposit date:2009-12-04
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
3JQZ
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Crystal Structure of Human serum albumin complexed with Lidocaine
Descriptor: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide, Serum albumin
Authors:Hein, K.L, Kragh-Hansen, U, Morth, J.P, Nissen, P.
Deposit date:2009-09-08
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystallographic analysis reveals a unique lidocaine binding site on human serum albumin.
J.Struct.Biol., 2010
3K2F
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Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Descriptor: (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Cecchi, A.
Deposit date:2009-09-30
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Bioorg.Med.Chem.Lett., 19, 2009
3K2I
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Human Acyl-coenzyme A thioesterase 4
Descriptor: Acyl-coenzyme A thioesterase 4, CHLORIDE ION, NICKEL (II) ION
Authors:Siponen, M.I, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human Acyl-coenzyme A thioesterase 4
To be Published
3K30
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Histamine dehydrogenase from Nocardiodes simplex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ...
Authors:Scott, E.E, Reed, T.M, Limburg, J.
Deposit date:2009-09-30
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of histamine dehydrogenase from Nocardioides simplex.
J.Biol.Chem., 285, 2010
3K3I
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p38alpha bound to novel DGF-out compound PF-00215955
Descriptor: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
3K4F
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X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Descriptor: 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one, HEXANE-1,6-DIOL, Heme oxygenase 1, ...
Authors:Rahman, M.N, Jia, Z.
Deposit date:2009-10-05
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Heme Oxygenase Inhibition by 2-Oxy-substituted 1-Azolyl-4-phenylbutanes: Effect of Variation of the Azole Moiety. X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone.
Chem.Biol.Drug Des., 75, 2010
3K7W
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Protein phosphatase 2A core complex bound to dinophysistoxin-2
Descriptor: (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[( 2S,6R,11S)-11-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]p yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid, MANGANESE (II) ION, SULFATE ION, ...
Authors:Jeffrey, P.D, Huhn, J, Shi, Y.
Deposit date:2009-10-13
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:A structural basis for the reduced toxicity of dinophysistoxin-2.
Chem.Res.Toxicol., 22, 2009
3JUV
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BU of 3juv by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
3JXH
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BU of 3jxh by Molmil
CA-like domain of human PTPRG
Descriptor: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
Authors:Bouyain, S.
Deposit date:2009-09-19
Release date:2009-12-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
3K0W
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Crystal structure of the tandem IG-like C2-type 2 domains of the human mucosa-associated lymphoid tissue lymphoma translocation protein 1
Descriptor: CHLORIDE ION, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, isoform 2
Authors:Walker, J.R, Qiu, L, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-25
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Tandem Ig-Like C2-Type 2 Domains of the Human Mucosa-Associated Lymphoid Tissue Lymphoma Translocation Protein 1.
To be Published
3JXW
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Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Descriptor: 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
TO BE PUBLISHED
3K40
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Crystal structure of Drosophila 3,4-dihydroxyphenylalanine decarboxylase
Descriptor: Aromatic-L-amino-acid decarboxylase, GLYCEROL
Authors:Han, Q, Ding, H, Robinson, H, Christensen, B.M, Li, J.
Deposit date:2009-10-05
Release date:2010-02-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure and substrate specificity of Drosophila 3,4-dihydroxyphenylalanine decarboxylase
Plos One, 5, 2010
3K5E
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BU of 3k5e by Molmil
The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
Descriptor: (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ...
Authors:Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M.
Deposit date:2009-10-07
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
To be Published
3KYC
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Human SUMO E1 complex with a SUMO1-AMP mimic
Descriptor: 5'-deoxy-5'-(sulfamoylamino)adenosine, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Lima, C.D.
Deposit date:2009-12-05
Release date:2010-02-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Active site remodelling accompanies thioester bond formation in the SUMO E1.
Nature, 463, 2010
3L4V
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Crystal complex of N-terminal Human Maltase-Glucoamylase with kotalanol
Descriptor: (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3KJ6
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Crystal structure of a Methylated beta2 Adrenergic Receptor-Fab complex
Descriptor: Beta-2 adrenergic receptor, Fab heavy chain, Fab light chain, ...
Authors:Bokoch, M.P, Zou, Y, Rasmussen, S.G.F, Liu, C.W, Nygaard, R, Rosenbaum, D.M, Fung, J.J, Choi, H.-J, Thian, F.S, Kobilka, T.S, Puglisi, J.D, Weis, W.I, Pardo, L, Prosser, S, Mueller, L, Kobilka, B.K.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor.
Nature, 463, 2010
3KRW
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Human GRK2 in complex with Gbetgamma subunits and balanol (soak)
Descriptor: BALANOL, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tesmer, J.J.G, Tesmer, V.M.
Deposit date:2009-11-19
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of human g protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
3KTR
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BU of 3ktr by Molmil
Structural basis of ataxin-2 recognition by poly(A)-binding protein
Descriptor: Ataxin-2, CADMIUM ION, Polyadenylate-binding protein 1, ...
Authors:Kozlov, G, Gehring, K.
Deposit date:2009-11-25
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of binding of P-body-associated proteins GW182 and ataxin-2 by the Mlle domain of poly(A)-binding protein.
J.Biol.Chem., 285, 2010
3L4Z
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Crystal complex of N-terminal Human Maltase-Glucoamylase with Salacinol
Descriptor: 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3KLH
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Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P)
Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ...
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KQ7
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Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
Descriptor: ACETATE ION, Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
Authors:Cheng, R.K.Y, Barker, J, Whittaker, M.
Deposit date:2009-11-17
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
3KXZ
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The complex crystal structure of LCK with a probe molecule w259
Descriptor: 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide, CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Xu, Z.B, Moy, F.J, Kelleher, K, Mosyak, L, Protein Structure Factory (PSF)
Deposit date:2009-12-04
Release date:2010-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance.
J.Med.Chem., 53, 2010

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