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3BLR
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BU of 3blr by Molmil
Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol
分子名称: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Cell division protein kinase 9, Cyclin-T1, ...
著者Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N.
登録日2007-12-11
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
3BZ7
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BU of 3bz7 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3C10
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BU of 3c10 by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA)
分子名称: Histone deacetylase 7a, POTASSIUM ION, TRICHOSTATIN A, ...
著者Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2008-01-21
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
3C3S
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BU of 3c3s by Molmil
Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn]
著者Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N.
登録日2008-01-28
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
3H8B
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BU of 3h8b by Molmil
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9)
分子名称: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
著者Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
登録日2009-04-29
公開日2009-10-20
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
2V6C
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BU of 2v6c by Molmil
Crystal structure of ErbB3 binding protein 1 (Ebp1)
分子名称: PROLIFERATION-ASSOCIATED PROTEIN 2G4
著者Monie, T.P, Perrin, A.J, Birtley, J.R, Curry, S.
登録日2007-07-16
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into the Transcriptional and Translational Roles of Ebp1
Embo J., 26, 2007
3BQI
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BU of 3bqi by Molmil
Structure of a chondroitin sulphate binding DBL3X from a var2csa encoded PfEMP1 protein
分子名称: Erythrocyte membrane protein 1, GLYCEROL
著者Higgins, M.K.
登録日2007-12-20
公開日2008-06-24
最終更新日2014-03-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of a chondroitin sulfate-binding domain important in placental malaria.
J.Biol.Chem., 283, 2008
3GY6
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BU of 3gy6 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3BRA
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BU of 3bra by Molmil
BACE-1 complexed with compound 1
分子名称: 4-(2-aminoethyl)phenol, Beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2007-12-21
公開日2008-03-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
3BTR
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BU of 3btr by Molmil
AR-NLS:Importin-alpha complex
分子名称: Androgen receptor, Importin subunit alpha-2
著者Cutress, M.L, Whitaker, H.C, Mills, I.G, Stewart, M, Neal, D.E.
登録日2007-12-30
公開日2008-12-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the nuclear import of the human androgen receptor
J.Cell.Sci., 121, 2008
3BUF
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BU of 3buf by Molmil
BACE-1 complexed with compound 2
分子名称: 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2008-01-02
公開日2008-03-11
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
2VM8
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BU of 2vm8 by Molmil
Human CRMP-2 crystallised in the presence of Mg
分子名称: DIHYDROPYRIMIDINASE-RELATED PROTEIN 2, MAGNESIUM ION
著者Kursula, P.
登録日2008-01-24
公開日2008-08-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal and Solution Structure, Stability and Post- Translational Modifications of Collapsin Response Mediator Protein 2.
FEBS J., 275, 2008
3BUR
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BU of 3bur by Molmil
Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and TESTOSTERONE. RESOLUTION: 1.62 A.
分子名称: 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Di Costanzo, L, Christianson, D.W.
登録日2008-01-03
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
3E3T
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BU of 3e3t by Molmil
Structure of porcine pancreatic elastase with the magic triangle I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ...
著者Beck, T, Gruene, T, Sheldrick, G.M.
登録日2008-08-08
公開日2008-10-28
最終更新日2012-04-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
3BZE
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BU of 3bze by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
著者Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
登録日2008-01-17
公開日2008-04-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
3C2L
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BU of 3c2l by Molmil
Ternary complex of DNA POLYMERASE BETA with a C:DAPCPP mismatch in the active site
分子名称: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DCP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DTP*DGP*DAP*DTP*DGP*DCP*DGP*DC)-3'), ...
著者Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H.
登録日2008-01-25
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation.
Mol.Cell, 30, 2008
3C3C
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BU of 3c3c by Molmil
Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-CDP
分子名称: 3-PHOSPHOGLYCERIC ACID, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L.
登録日2008-01-28
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
2ZFF
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BU of 2zff by Molmil
Exploring Thrombin S1-pocket
分子名称: D-phenylalanyl-N-benzyl-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-01-04
公開日2008-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Exploring Thrombin S1-pocket
To be Published
2V9J
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BU of 2v9j by Molmil
Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP
分子名称: 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ...
著者Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J.
登録日2007-08-23
公開日2007-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase
Nature, 449, 2007
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
分子名称: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
著者Randal, M, Lam, M.B, Romanowski, M.J.
登録日2008-03-07
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
2ZK2
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Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with glutathion conjugated 15-deoxy-delta12,14-prostaglandin J2
分子名称: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, GLUTATHIONE, Peroxisome proliferator-activated receptor gamma
著者Waku, T, Shiraki, T, Oyama, T, Fujimoto, Y, Morikawa, K.
登録日2008-03-12
公開日2009-02-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids
J.Mol.Biol., 385, 2009
2ZG3
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BU of 2zg3 by Molmil
Crystal Structure of Two N-terminal Domains of Native Siglec-5 in Complex with 3'-Sialyllactose
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Sialic acid-binding Ig-like lectin 5
著者Zhuravleva, M.A, Sun, P.D.
登録日2008-01-17
公開日2008-02-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural implications of Siglec-5-mediated sialoglycan recognition
J.Mol.Biol., 375, 2008
2ZHT
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BU of 2zht by Molmil
Crystal structure of BACE1 at pH 4.5
分子名称: Beta-secretase 1
著者Shimizu, H, Nukina, N.
登録日2008-02-08
公開日2008-04-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production
Mol.Cell.Biol., 28, 2008
2ZIZ
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Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3-deazaadenosine
分子名称: 3-DEAZA-ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
登録日2008-02-29
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
2VJE
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Crystal Structure of the MDM2-MDMX RING Domain Heterodimer
分子名称: CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ...
著者Mace, P.D, Linke, K, Smith, C.A, Day, C.L.
登録日2007-12-10
公開日2008-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the MDM2/MDMX RING domain heterodimer reveals dimerization is required for their ubiquitylation in trans.
Cell Death Differ., 15, 2008

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