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3DGR
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BU of 3dgr by Molmil
Crystal structure of human NAMPT complexed with ADP analogue
分子名称: Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-15
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-17
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Tumor necrosis factor, alpha-induced protein 3
著者Lin, S.-C, Chung, J.Y, Lo, Y.-C, Wu, H.
登録日2008-06-24
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhang, T, Li, S, Ding, J.
登録日2008-07-04
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献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
分子名称: Creatine kinase B-type
著者Moon, J.H, Bong, S.M, Hwang, K.Y, Chi, Y.M.
登録日2008-07-11
公開日2009-03-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S.
登録日2008-07-18
公開日2008-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Klebe, G.
登録日2008-07-01
公開日2009-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: Interleukin-22, Interleukin-22 receptor subunit alpha-1
著者Bleicher, L, de Moura, P.R, Watanabe, L, Colau, D, Dumoutier, L, Renauld, J.-C, Polikarpov, I.
登録日2008-06-28
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: Beta-2 microglobulin, H-2 class I histocompatibility antigen, D-D alpha chain, ...
著者Wang, R, Natarajan, K, Margulies, D.H.
登録日2008-07-01
公開日2009-07-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: Arachidonate 12-lipoxygenase, 12S-type, FE (III) ION
著者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)
登録日2008-05-12
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: Complement C3, Fibrinogen-binding protein
著者Geisbrecht, B.V.
登録日2008-05-16
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-05-28
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: E3 ubiquitin-protein ligase TRIM63, ZINC ION
著者Mayans, O, Mrosek, M.
登録日2008-06-06
公開日2008-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
分子名称: NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ...
著者Souphron, J, Schulman, B.A.
登録日2008-06-01
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R.
登録日2008-06-04
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: Cell division protein kinase 2, Cyclin-A2, MONOTHIOGLYCEROL, ...
著者Echalier, A, Endicott, J.A.
登録日2008-06-06
公開日2008-07-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: Collagen alpha-1(III) chain
著者Boudko, S.P, Engel, J, Okuyama, K, Mizuno, K, Bachinger, H.P, Schumacher, M.A.
登録日2008-07-01
公開日2008-09-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 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, ...
著者Kamata, K.
登録日2009-01-08
公開日2009-02-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-fluoro-1H-indole, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Rondahl, L, Uppenberg, J, Svensson, S, Lundb ck, T.
登録日2009-01-08
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 4-(2-amino-1,3-thiazol-4-yl)phenol, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
登録日2009-01-08
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: Hepatocyte nuclear factor 4-alpha, MYRISTIC ACID, PPARgamma Coactivator-1a (PGC-1a)
著者Rha, G, Wu, G, Chi, Y.
登録日2009-01-08
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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