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3DGR
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BU of 3dgr by Molmil
Crystal structure of human NAMPT complexed with ADP analogue
Descriptor: Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
Deposit date:2008-06-15
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3DHF
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BU of 3dhf by Molmil
Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate
Descriptor: BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
Deposit date:2008-06-17
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3DKB
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BU of 3dkb by Molmil
Crystal Structure of A20, 2.5 angstrom
Descriptor: Tumor necrosis factor, alpha-induced protein 3
Authors:Lin, S.-C, Chung, J.Y, Lo, Y.-C, Wu, H.
Deposit date:2008-06-24
Release date:2008-07-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for the unique deubiquitinating activity of the NF-kappaB inhibitor A20
J.Mol.Biol., 376, 2008
3DOF
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BU of 3dof by Molmil
Complex of ARL2 and BART, Crystal Form 2
Descriptor: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, T, Li, S, Ding, J.
Deposit date:2008-07-04
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
3DRE
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BU of 3dre by Molmil
Crystal structure of Human Brain-type Creatine Kinase
Descriptor: Creatine kinase B-type
Authors:Moon, J.H, Bong, S.M, Hwang, K.Y, Chi, Y.M.
Deposit date:2008-07-11
Release date:2009-03-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex
Febs Lett., 582, 2008
3DVD
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BU of 3dvd by Molmil
X-ray crystal structure of mutant N62D of human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2008-07-18
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
3DN5
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BU of 3dn5 by Molmil
Aldose Reductase in complex with novel biarylic inhibitor
Descriptor: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Klebe, G.
Deposit date:2008-07-01
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization of Aldose Reductase Inhibitors Originating from Virtual Screening
Chemmedchem, 4, 2009
3DLQ
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BU of 3dlq by Molmil
Crystal structure of the IL-22/IL-22R1 complex
Descriptor: Interleukin-22, Interleukin-22 receptor subunit alpha-1
Authors:Bleicher, L, de Moura, P.R, Watanabe, L, Colau, D, Dumoutier, L, Renauld, J.-C, Polikarpov, I.
Deposit date:2008-06-28
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the IL-22/IL-22R1 complex and its implications for the IL-22 signaling mechanism
Febs Lett., 582, 2008
3DMM
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BU of 3dmm by Molmil
Crystal structure of the CD8 alpha beta/H-2Dd complex
Descriptor: Beta-2 microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ...
Authors:Wang, R, Natarajan, K, Margulies, D.H.
Deposit date:2008-07-01
Release date:2009-07-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of the CD8alphabeta/MHC class i interaction: focused recognition orients CD8beta to a T cell proximal position.
J.Immunol., 183, 2009
3D3L
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BU of 3d3l by Molmil
The 2.6 A crystal structure of the lipoxygenase domain of human arachidonate 12-lipoxygenase, 12S-type
Descriptor: Arachidonate 12-lipoxygenase, 12S-type, FE (III) ION
Authors:Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-05-12
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the lipoxygenase domain of human Arachidonate 12-lipoxygenase, 12S-type.
To be Published
3D5S
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BU of 3d5s by Molmil
Crystal Structure of Efb-C (R131A) / C3d Complex
Descriptor: Complement C3, Fibrinogen-binding protein
Authors:Geisbrecht, B.V.
Deposit date:2008-05-16
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
3D9Z
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BU of 3d9z by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-05-28
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DDT
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BU of 3ddt by Molmil
Crystal structure of the B2 box from MuRF1 in dimeric state
Descriptor: E3 ubiquitin-protein ligase TRIM63, ZINC ION
Authors:Mayans, O, Mrosek, M.
Deposit date:2008-06-06
Release date:2008-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of B-Box 2 from MuRF1: identification of a novel self-association pattern in a RING-like fold
Biochemistry, 47, 2008
3DBL
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BU of 3dbl by Molmil
Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190wt-NEDD8Ala72Gln)
Descriptor: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ...
Authors:Souphron, J, Schulman, B.A.
Deposit date:2008-06-01
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural dissection of a gating mechanism preventing misactivation of ubiquitin by NEDD8's E1.
Biochemistry, 47, 2008
3DCW
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BU of 3dcw by Molmil
Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
Deposit date:2008-06-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
3DDQ
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BU of 3ddq by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor roscovitine
Descriptor: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3DMW
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BU of 3dmw by Molmil
Crystal structure of human type III collagen G982-G1023 containing C-terminal cystine knot
Descriptor: Collagen alpha-1(III) chain
Authors:Boudko, S.P, Engel, J, Okuyama, K, Mizuno, K, Bachinger, H.P, Schumacher, M.A.
Deposit date:2008-07-01
Release date:2008-09-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human type III collagen Gly991-Gly1032 cystine knot-containing peptide shows both 7/2 and 10/3 triple helical symmetries.
J.Biol.Chem., 283, 2008
3FR0
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BU of 3fr0 by Molmil
Human glucokinase in complex with 2-amino benzamide activator
Descriptor: 2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide, Glucokinase, SODIUM ION, ...
Authors:Kamata, K.
Deposit date:2009-01-08
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators
Bioorg.Med.Chem.Lett., 19, 2009
3FTY
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BU of 3fty by Molmil
Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUF
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BU of 3fuf by Molmil
Leukotriene A4 hydrolase in complex with fragment 5-fluoroindole and bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-fluoro-1H-indole, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FR2
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BU of 3fr2 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Rondahl, L, Uppenberg, J, Svensson, S, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FU3
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BU of 3fu3 by Molmil
Leukotriene A4 hydrolase in complex with fragment 4-(2-amino-1,3-thiazol-4-yl)phenol
Descriptor: 4-(2-amino-1,3-thiazol-4-yl)phenol, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FR5
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BU of 3fr5 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FUK
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BU of 3fuk by Molmil
Leukotriene A4 hydrolase in complex with 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
Descriptor: 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FS1
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BU of 3fs1 by Molmil
Crystal structure of HNF4a LBD in complex with the ligand and the coactivator PGC-1a fragment
Descriptor: Hepatocyte nuclear factor 4-alpha, MYRISTIC ACID, PPARgamma Coactivator-1a (PGC-1a)
Authors:Rha, G, Wu, G, Chi, Y.
Deposit date:2009-01-08
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple binding modes between HNF4alpha and the LXXLL motifs of PGC-1alpha lead to full activation
J.Biol.Chem., 284, 2009

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