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3CHR
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BU of 3chr by Molmil
Crystal structure of leukotriene A4 hydrolase in complex with 4-amino-N-[4-(phenylmethoxy)phenyl]-butanamide
Descriptor: 4-amino-N-[4-(benzyloxy)phenyl]butanamide, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
1Z5M
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BU of 1z5m by Molmil
Crystal Structure Of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide Complexed with Human PDK1
Descriptor: 3-phosphoinositide dependent protein kinase-1, CHLORIDE ION, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2005-03-18
Release date:2005-04-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.
J.Biol.Chem., 280, 2005
2JG8
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BU of 2jg8 by Molmil
Crystallographic structure of human C1q globular heads complexed to phosphatidyl-serine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1q subcomponent subunit A, ...
Authors:Paidassi, H, Tacnet-Delorme, P, Garlatti, V, Darnault, C, Ghebrehiwet, B, Gaboriaud, C, Arlaud, G.J, Frachet, P.
Deposit date:2007-02-09
Release date:2008-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:C1Q Binds Phosphatidylserine and Likely Acts as a Multiligand-Bridging Molecule in Apoptotic Cell Recognition.
J.Immunol., 180, 2008
3CZD
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BU of 3czd by Molmil
Crystal structure of human glutaminase in complex with L-glutamate
Descriptor: GLUTAMIC ACID, GLYCEROL, Glutaminase kidney isoform, ...
Authors:Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-04-29
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
2JSI
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BU of 2jsi by Molmil
11-23 obestatin fragment in DPC/SDS micellar solution
Descriptor: Appetite-regulating hormone, Obestatin
Authors:D'Ursi, A.M, Scrima, M, Esposito, C, Campiglia, P.
Deposit date:2007-07-05
Release date:2008-10-21
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Obestatin conformational features: a strategy to unveil obestatin's biological role?
Biochem.Biophys.Res.Commun., 363, 2007
1ZF1
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BU of 1zf1 by Molmil
CCC A-DNA
Descriptor: 5'-D(*CP*CP*GP*GP*GP*CP*CP*CP*GP*G)-3'
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-19
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZFA
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BU of 1zfa by Molmil
GGA Duplex A-DNA
Descriptor: 5'-D(*CP*CP*TP*CP*CP*GP*GP*AP*GP*G)-3', CALCIUM ION, SODIUM ION
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3L6B
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BU of 3l6b by Molmil
X-ray crystal structure of human serine racemase in complex with malonate a potent inhibitor
Descriptor: MALONATE ION, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Smith, M.A, Barker, J, Mack, V, Ebneth, A, Moraes, I, Felicetti, B, Cesura, A.
Deposit date:2009-12-23
Release date:2010-01-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding.
J.Biol.Chem., 285, 2010
1ZF8
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BU of 1zf8 by Molmil
GGT Duplex A-DNA
Descriptor: 5'-D(*CP*CP*AP*CP*CP*GP*GP*TP*GP*G)-3', CALCIUM ION
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3CEQ
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BU of 3ceq by Molmil
The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
Descriptor: Kinesin light chain 2
Authors:Zhu, H, Shen, Y, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-08-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
To be Published
1ZHB
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BU of 1zhb by Molmil
Crystal Structure Of The Murine Class I Major Histocompatibility Complex Of H-2Db, B2-Microglobulin, and a 9-Residue Peptide Derived from rat dopamine beta-monooxigenase
Descriptor: 9-mer peptide from Dopamine beta-monooxygenase, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Sandalova, T, Michaelsson, J, Harris, R.A, Odeberg, J, Schneider, G, Karre, K, Achour, A.
Deposit date:2005-04-25
Release date:2005-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structural basis for CD8+ T cell-dependent recognition of non-homologous peptide ligands: implications for molecular mimicry in autoreactivity
J.Biol.Chem., 280, 2005
3QG7
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BU of 3qg7 by Molmil
Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody
Descriptor: AP4-24H11 Antibody Heavy Chain, AP4-24H11 Antibody Light Chain, HEXAETHYLENE GLYCOL, ...
Authors:Kirchdoerfer, R.K, Kaufmann, G.F, Janda, J.D, Wilson, I.A.
Deposit date:2011-01-24
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody.
J.Biol.Chem., 286, 2011
3CHS
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BU of 3chs by Molmil
Crystal structure of leukotriene A4 hydrolase in complex with (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
Descriptor: (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
2LK1
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BU of 2lk1 by Molmil
Solution structure and binding studies of the RanBP2-type zinc finger of RBM5
Descriptor: 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, RNA-binding protein 5, ZINC ION
Authors:Farina, B, Pellecchia, M.
Deposit date:2011-09-30
Release date:2011-12-28
Method:SOLUTION NMR
Cite:Targeting Zinc Finger Domains with Small Molecules: Solution Structure and Binding Studies of the RanBP2-Type Zinc Finger of RBM5.
Chembiochem, 12, 2011
3AWN
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BU of 3awn by Molmil
Crystal structure of D-serine dehydratase from chicken kidney (EDTA treated)
Descriptor: D-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE
Authors:Tanaka, H, Senda, M, Venugopalan, N, Yamamoto, A, Senda, T, Ishida, T, Horiike, K.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney.
J.Biol.Chem., 286, 2011
3AWO
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BU of 3awo by Molmil
Crystal structure of D-serine dehydratase in complex with D-serine from chicken kidney (EDTA-treated)
Descriptor: D-SERINE, D-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE
Authors:Tanaka, H, Senda, M, Venugopalan, N, Yamamoto, A, Senda, T, Ishida, T, Horiike, K.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of a zinc-dependent D-serine dehydratase from chicken kidney.
J.Biol.Chem., 286, 2011
3AXG
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BU of 3axg by Molmil
Structure of 6-aminohexanoate-oligomer hydrolase
Descriptor: Endotype 6-aminohexanoat-oligomer hydrolase, SODIUM ION
Authors:Negoro, S, Shibata, N, Tanaka, Y, Yasuhira, K, Shibata, H, Hashimoto, H, Lee, Y.H, Ohshima, S, Santa, R, Mochiji, K, Goto, Y, Ikegami, T, Nagai, K, Kato, D, Takeo, M, Higuchi, Y.
Deposit date:2011-04-04
Release date:2011-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of nylon hydrolase and mechanism of nylon-6 hydrolysis
J.Biol.Chem., 287, 2012
1Z1L
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BU of 1z1l by Molmil
The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain
Descriptor: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ...
Authors:Ding, Y.H, Kohls, D, Low, C.
Deposit date:2005-03-04
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005
1ZF9
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BU of 1zf9 by Molmil
GGG Duplex A-DNA
Descriptor: 5'-D(*CP*CP*CP*CP*CP*GP*GP*GP*GP*G)-3', SODIUM ION
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1ZFM
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BU of 1zfm by Molmil
AGC Duplex B-DNA
Descriptor: 5'-D(*CP*CP*GP*CP*TP*AP*GP*CP*GP*G)-3'
Authors:Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
Deposit date:2005-04-20
Release date:2005-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A9Y
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BU of 2a9y by Molmil
Crystal structure of T. gondii adenosine kinase complexed with N6-dimethyladenosine
Descriptor: 6N-DIMETHYLADENOSINE, ACETATE ION, CHLORIDE ION, ...
Authors:Zhang, Y, el Kouni, M.H, Ealick, S.E.
Deposit date:2005-07-12
Release date:2006-07-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase
Acta Crystallogr.,Sect.D, 63, 2007
2GTK
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BU of 2gtk by Molmil
Structure-based Design of Indole Propionic Acids as Novel PPARag CO-Agonists
Descriptor: (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID, Decamer from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Kuhn, B, Hilpert, H, Benz, J, Binggeli, A, Grether, U, Humm, R, Maerki, H.-P, Meyer, M, Mohr, P.
Deposit date:2006-04-28
Release date:2006-09-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of indole propionic acids as novel PPARalpha/gamma co-agonists
Bioorg.Med.Chem.Lett., 16, 2006
3D0E
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BU of 3d0e by Molmil
Crystal structure of human Akt2 in complex with GSK690693
Descriptor: 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3-yn-2-ol, RAC-beta serine/threonine-protein kinase
Authors:Concha, N.O, Smallwood, A.
Deposit date:2008-05-01
Release date:2008-10-21
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
J.Med.Chem., 51, 2008
3CST
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BU of 3cst by Molmil
Crystal structure of PI3K p110gamma catalytical domain in complex with organoruthenium inhibitor E5E2
Descriptor: Methylated Ruthenium Pyridocarbazole, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Xie, P, Marmorstein, R.
Deposit date:2008-04-10
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-based design of an organoruthenium phosphatidyl-inositol-3-kinase inhibitor reveals a switch governing lipid kinase potency and selectivity.
Acs Chem.Biol., 3, 2008
2GYV
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BU of 2gyv by Molmil
Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7
Descriptor: 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, ...
Authors:Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S.
Deposit date:2006-05-10
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006

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