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PDB: 12521 results

4BSU
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BU of 4bsu by Molmil
Structure of the ectodomain of LGR5 in complex with R-spondin-1 (Fu1Fu2) in C2 crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5, ...
Authors:Peng, W.C, de Lau, W, Forneris, F, Granneman, J.C.M, Huch, M, Clevers, H, Gros, P.
Deposit date:2013-06-11
Release date:2013-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Stem Cell Growth Factor R-Spondin 1 in Complex with the Ectodomain of its Receptor Lgr5.
Cell Rep., 3, 2013
4CD2
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BU of 4cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F.
Deposit date:1999-03-18
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
4NMH
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11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one
Descriptor: (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O.
Deposit date:2013-11-15
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1)
TO BE PUBLISHED
4O0Z
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Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation by Human Nicotinamide Phosphoribosyltransferase
Descriptor: N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Oh, A, Wang, W.
Deposit date:2013-12-14
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
4NWN
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Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28
Descriptor: Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein
Authors:McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2013-12-06
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
4O15
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The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618
Descriptor: 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4NFE
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Human kallikrein-related peptidase 2 in complex with benzamidine
Descriptor: BENZAMIDINE, Kallikrein-2, SULFATE ION
Authors:Skala, W, Brandstetter, H, Magdolen, V, Goettig, P.
Deposit date:2013-10-31
Release date:2014-10-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
4BPA
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BU of 4bpa by Molmil
Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with NAG-NAM-NAG-NAM tetrasaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, AMPDH2, ZINC ION
Authors:Artola-Recolons, C, Martinez-Caballero, S, Lee, M, Carrasco-Lopez, C, Hesek, D, Spink, E, Lastochkin, E, Zhang, W, Hellman, L, Boggess, B, Mobashery, S, Hermoso, J.A.
Deposit date:2013-05-23
Release date:2013-07-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
4BPS
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BU of 4bps by Molmil
Crystal structure of Chorismatase at 1.08 Angstrom resolution.
Descriptor: 3-(2-CARBOXYETHYL)BENZOIC ACID, FKBO
Authors:Juneja, P, Hubrich, F, Diederichs, K, Welte, W, Andexer, J.N.
Deposit date:2013-05-28
Release date:2013-09-18
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.081 Å)
Cite:Mechanistic Implications for the Chorismatase Fkbo Based on the Crystal Structure.
J.Mol.Biol., 426, 2014
4BTG
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BU of 4btg by Molmil
Coordinates of the bacteriophage phi6 capsid subunits (P1A and P1B) fitted into the cryoEM reconstruction of the procapsid at 4.4 A resolution
Descriptor: MAJOR INNER PROTEIN P1
Authors:Nemecek, D, Boura, E, Wu, W, Cheng, N, Plevka, P, Qiao, J, Mindich, L, Heymann, J.B, Hurley, J.H, Steven, A.C.
Deposit date:2013-06-17
Release date:2013-08-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Subunit Folds and Maturation Pathway of a Dsrna Virus Capsid.
Structure, 21, 2013
4MDC
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BU of 4mdc by Molmil
Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021, NYSGRC target 021389
Descriptor: GLYCEROL, Putative glutathione S-transferase
Authors:Shabalin, I.G, Bacal, P, Cooper, D.R, Stead, M, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-08-22
Release date:2013-09-04
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of glutathione S-transferase from Sinorhizobium meliloti 1021
To be Published
4CAV
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BU of 4cav by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879
Descriptor: 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
Deposit date:2013-10-09
Release date:2014-09-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4BVV
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BU of 4bvv by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-28
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4M7Y
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BU of 4m7y by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide, PHOSPHATE ION, ...
Authors:Mottaghi, K, Hong, B, Tempel, W, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2013-08-12
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.
ACS Infect Dis, 2, 2016
4BVW
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BU of 4bvw by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ...
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-28
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4CCU
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BU of 4ccu by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
Descriptor: 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2013-10-28
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4LVD
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BU of 4lvd by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LX2
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BU of 4lx2 by Molmil
Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va
Authors:Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A.
Deposit date:2013-07-29
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of myosin V Rab GTPase-dependent cargo recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013
4CCB
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BU of 4ccb by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine
Descriptor: 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2013-10-21
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4M0Q
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BU of 4m0q by Molmil
Ebola virus VP24 structure
Descriptor: Membrane-associated protein VP24
Authors:Xu, W, Leung, D.W, Borek, D, Amarasinghe, G.K.
Deposit date:2013-08-01
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.921 Å)
Cite:The Marburg Virus VP24 Protein Interacts with Keap1 to Activate the Cytoprotective Antioxidant Response Pathway.
Cell Rep, 6, 2014
4NE4
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BU of 4ne4 by Molmil
Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, substrate binding protein (Proline/glycine/betaine), ...
Authors:Tkaczuk, K.L, Nicholls, R, Kagan, O, Chruszcz, M, Domagalski, M.J, Savchenko, A, Joachimiak, A, Murshudov, G, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-10-28
Release date:2013-11-27
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium tumefaciens cocrystalized with BTB
To be Published
4C6G
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BU of 4c6g by Molmil
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
Descriptor: PHENYLALANINE AMMONIA-LYASE
Authors:Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W.
Deposit date:2013-09-18
Release date:2014-05-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
4O0R
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BU of 4o0r by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Descriptor: PF-3758309, Serine/threonine-protein kinase PAK 1
Authors:Rouge, L, Tam, C, Wang, W.
Deposit date:2013-12-14
Release date:2014-02-12
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O16
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Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors
Descriptor: 1,2-ETHANEDIOL, 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium, Nicotinamide phosphoribosyltransferase, ...
Authors:Oh, A, Coons, M, Brillantes, B, Wang, W.
Deposit date:2013-12-15
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
4NSY
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BU of 4nsy by Molmil
Wild-type lysobacter enzymogenes lysc endoproteinase covalently inhibited by TLCK
Descriptor: CALCIUM ION, CHLORIDE ION, Lysyl endopeptidase, ...
Authors:Asztalos, P, Muller, A, Holke, W, Sobek, H, Rudolph, M.G.
Deposit date:2013-11-29
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution structure of a lysine-specific endoproteinase from Lysobacter enzymogenes suggests a hydroxyl group bound to the oxyanion hole.
Acta Crystallogr.,Sect.D, 70, 2014

223790

数据于2024-08-14公开中

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