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2KBO
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BU of 2kbo by Molmil
Structure, interaction, and real-time monitoring of the enzymatic reaction of wild type APOBEC3G
Descriptor: DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION
Authors:Furukawa, A, Nagata, T, Matsugami, A, Habu, Y, Sugiyama, R, Hayashi, F, Kobayashi, N, Yokoyama, S, Takaku, H, Katahira, M.
Deposit date:2008-12-04
Release date:2009-02-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure, interaction and real-time monitoring of the enzymatic reaction of wild-type APOBEC3G
Embo J., 28, 2009
2YBM
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BU of 2ybm by Molmil
Nitrate X-ray induced reduction on HEWL crystals (23.3 MGy)
Descriptor: LYSOZYME C, NITRIC OXIDE
Authors:De la Mora, E, Carmichael, I, Garman, E.F.
Deposit date:2011-03-08
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals.
J.Synchrotron.Radiat., 18, 2011
2KK1
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BU of 2kk1 by Molmil
Solution structure of C-terminal Domain of Tyrosine-protein kinase ABL2 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) target HR5537A
Descriptor: Tyrosine-protein kinase ABL2
Authors:Liu, G, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-14
Release date:2009-08-11
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structure of F-actin-binding domain of Arg/Abl2 from Homo sapiens.
Proteins, 78, 2010
2KOM
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BU of 2kom by Molmil
Solution structure of humar Par-3b PDZ2 (residues 451-549)
Descriptor: Partitioning defective 3 homolog
Authors:Volkman, B.F, Tyler, R.C, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rapid, robotic, small-scale protein production for NMR screening and structure determination.
Protein Sci., 19, 2010
2KGI
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BU of 2kgi by Molmil
Solution structure of JARID1A C-terminal PHD finger in complex with H3(1-9)K4me3
Descriptor: H3(1-9)K4me3, Histone demethylase JARID1A, ZINC ION
Authors:Song, J, Wang, Z, Patel, D.J.
Deposit date:2009-03-12
Release date:2009-05-05
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Haematopoietic malignancies caused by dysregulation of a chromatin-binding PHD finger.
Nature, 459, 2009
2WM9
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BU of 2wm9 by Molmil
Structure of the complex between DOCK9 and Cdc42.
Descriptor: CELL DIVISION CONTROL PROTEIN 42 HOMOLOG, DEDICATOR OF CYTOKINESIS PROTEIN 9, GLYCEROL
Authors:Yang, J, Roe, S.M, Barford, D.
Deposit date:2009-06-30
Release date:2009-09-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activation of Rho Gtpases by Dock Exchange Factors is Mediated by a Nucleotide Sensor.
Science, 325, 2009
2WQO
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BU of 2wqo by Molmil
STRUCTURE OF NEK2 BOUND TO THE AMINOPYRIDINE CCT241950
Descriptor: 4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2009-08-24
Release date:2009-12-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.167 Å)
Cite:An Autoinhibitory Tyrosine Motif in the Cell-Cycle- Regulated Nek7 Kinase is Released Through Binding of Nek9.
Mol.Cell, 36, 2009
3DY4
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BU of 3dy4 by Molmil
Crystal structure of yeast 20S proteasome in complex with spirolactacystin
Descriptor: Omuralide, open form, Proteasome component C1, ...
Authors:Groll, M, Balskus, E, Jacobsen, E.
Deposit date:2008-07-25
Release date:2008-11-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of spiro beta-lactone proteasome inhibitors.
J.Am.Chem.Soc., 130, 2008
2YBJ
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BU of 2ybj by Molmil
Nitrate X-ray induced reduction on HEWL crystals (12.31 MGy)
Descriptor: LYSOZYME C, NITRITE ION
Authors:De la Mora, E, Carmichael, I, Garman, E.F.
Deposit date:2011-03-08
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals.
J.Synchrotron.Radiat., 18, 2011
3E1Z
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BU of 3e1z by Molmil
Crystal structure of the parasite protesase inhibitor chagasin in complex with papain
Descriptor: ACETIC ACID, Chagasin, FORMIC ACID, ...
Authors:Redzynia, I, Bujacz, G, Bujacz, A, Ljunggren, A, Abrahamson, M, Jaskolski, M.
Deposit date:2008-08-05
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases.
Febs J., 276, 2009
2WIP
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BU of 2wip by Molmil
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
Descriptor: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
3DM6
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BU of 3dm6 by Molmil
Beta-secretase 1 complexed with statine-based inhibitor
Descriptor: 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid, Beta-secretase 1, ISOPROPYL ALCOHOL
Authors:Lindberg, J, Borkakoti, N, Nystrom, S.
Deposit date:2008-06-30
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues
Bioorg.Med.Chem., 16, 2008
2KDD
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BU of 2kdd by Molmil
Solution structure of the conserved C-terminal dimerization domain of Borealin
Descriptor: Borealin
Authors:Lingel, A, Bourhis, E, Cochran, A.G, Fairbrother, W.J.
Deposit date:2009-01-06
Release date:2009-06-30
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Phosphorylation of a borealin dimerization domain is required for proper chromosome segregation.
Biochemistry, 48, 2009
2KBI
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BU of 2kbi by Molmil
Solution NMR structure of the C-terminal EF-hand domain of human cardiac sodium channel NaV1.5
Descriptor: Sodium channel protein type 5 subunit alpha
Authors:Chagot, B, Potet, F, Balser, J.R, Chazin, W.J.
Deposit date:2008-11-28
Release date:2008-12-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR Structure of the C-terminal EF-hand Domain of Human Cardiac Sodium Channel NaV1.5.
J.Biol.Chem., 284, 2009
2KBW
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BU of 2kbw by Molmil
Solution Structure of human Mcl-1 complexed with human Bid_BH3 peptide
Descriptor: BH3-interacting domain death agonist, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Liu, Q, Moldoveanu, T, Sprules, T, Matta-Camacho, E, Mansur-Azzam, N, Gehring, K.
Deposit date:2008-12-09
Release date:2009-12-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Apoptotic regulation by MCL-1 through heterodimerization.
J.Biol.Chem., 285, 2010
3BIU
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BU of 3biu by Molmil
Human thrombin-in complex with UB-THR10
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ...
Authors:Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G.
Deposit date:2007-12-01
Release date:2007-12-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons
Angew.Chem.Int.Ed.Engl., 46, 2007
2K6T
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BU of 2k6t by Molmil
Solution structure of the relaxin-like factor
Descriptor: Insulin-like 3 A chain, Insulin-like 3 B chain
Authors:Bullesbach, E.E, Hass, M.A.S, Jensen, M.R, Hansen, D.F, Kristensen, S.M, Schwabe, C, Led, J.J.
Deposit date:2008-07-23
Release date:2008-12-16
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Biochemistry, 47, 2008
2W96
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BU of 2w96 by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-21
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2K7P
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BU of 2k7p by Molmil
Filamin A Ig-like domains 16-17
Descriptor: Filamin-A
Authors:Heikkinen, O.K, Kilpelainen, I, Koskela, H, Permi, P, Heikkinen, S, Ylanne, J.
Deposit date:2008-08-19
Release date:2009-07-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Atomic structures of two novel immunoglobulin-like domain pairs in the actin cross-linking protein filamin
J.Biol.Chem., 284, 2009
3B5R
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BU of 3b5r by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
Descriptor: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-26
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
2W2V
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BU of 2w2v by Molmil
Rac2 (G12V) in complex with GTPgS
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 2
Authors:Opaleye, O, Bunney, T.D, Roe, S.M, Pearl, L.H.
Deposit date:2008-11-04
Release date:2009-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights Into Formation of an Active Signaling Complex between Rac and Phospholipase C Gamma 2.
Mol.Cell, 34, 2009
2KKF
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BU of 2kkf by Molmil
Solution structure of MLL CXXC domain in complex with palindromic CPG DNA
Descriptor: 5'-D(*CP*CP*CP*TP*GP*CP*GP*CP*AP*GP*GP*G)-3', Histone-lysine N-methyltransferase HRX, ZINC ION
Authors:Cierpicki, T, Riesbeck, J.E, Grembecka, J.E, Lukasik, S.M, Popovic, R, Omonkowska, M, Shultis, D.S, Zeleznik-Le, N.J, Bushweller, J.H.
Deposit date:2009-06-18
Release date:2009-12-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the MLL CXXC domain-DNA complex and its functional role in MLL-AF9 leukemia.
Nat.Struct.Mol.Biol., 17, 2010
3DHK
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BU of 3dhk by Molmil
Bisphenylic Thrombin Inhibitors
Descriptor: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2008-06-18
Release date:2009-05-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
3DJA
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BU of 3dja by Molmil
Crystal Structure of cpaf solved with MAD
Descriptor: Protein CT_858
Authors:Chai, J, Huang, Z.
Deposit date:2008-06-22
Release date:2009-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for activation and inhibition of the secreted chlamydia protease CPAF
Cell Host Microbe, 4, 2008
3BAG
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BU of 3bag by Molmil
Crystal structure of K112N/N114A mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1
Authors:Lee, J, Blaber, M.
Deposit date:2007-11-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008

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