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4HYS
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BU of 4hys by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-(4-Indazol-1-yl-pyrimidin-2-ylamino)-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-{[4-(1H-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
Authors:Kuglstatter, A, Janson, C.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
1QZ2
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BU of 1qz2 by Molmil
Crystal Structure of FKBP52 C-terminal Domain complex with the C-terminal peptide MEEVD of Hsp90
Descriptor: 5-mer peptide from Heat shock protein HSP 90, FK506-binding protein 4
Authors:Wu, B, Li, P, Lou, Z, Liu, Y, Ding, Y, Shu, C, Shen, B, Rao, Z.
Deposit date:2003-09-15
Release date:2004-06-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex.
Proc.Natl.Acad.Sci.USA, 101, 2004
3QZZ
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BU of 3qzz by Molmil
3D Structure of Ferric Methanosarcina Acetivorans Protoglobin Y61W mutant in Aquomet form
Descriptor: Methanosarcina acetivorans protoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
Deposit date:2011-03-07
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
6I3U
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BU of 6i3u by Molmil
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
Descriptor: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Leonard, P.M.
Deposit date:2018-11-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
J.Med.Chem., 62, 2019
3R0G
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BU of 3r0g by Molmil
3D Structure of Ferric Methanosarcina Acetivorans Protoglobin I149F mutant in Aquomet form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
Deposit date:2011-03-08
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
1J4H
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BU of 1j4h by Molmil
crystal structure analysis of the FKBP12 complexed with 000107 small molecule
Descriptor: 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
3QZX
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BU of 3qzx by Molmil
3D Structure of ferric methanosarcina acetivorans protoglobin Y61A mutant with unknown ligand
Descriptor: GLYCEROL, Methanosarcina acetivorans protoglobin, PHOSPHATE ION, ...
Authors:Pesce, A, Tilleman, L, Dewilde, S, Ascenzi, P, Coletta, M, Ciaccio, C, Bruno, S, Moens, L, Bolognesi, M, Nardini, M.
Deposit date:2011-03-07
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural heterogeneity and ligand gating in ferric methanosarcina acetivorans protoglobin mutants.
Iubmb Life, 63, 2011
1J4I
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BU of 1j4i by Molmil
crystal structure analysis of the FKBP12 complexed with 000308 small molecule
Descriptor: 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12
Authors:Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z.
Deposit date:2001-09-30
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
1GIU
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BU of 1giu by Molmil
A TRICHOSANTHIN(TCS) MUTANT(E85R) COMPLEX STRUCTURE WITH ADENINE
Descriptor: ADENINE, RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN
Authors:Guo, Q, Liu, Y, Dong, Y, Rao, Z.
Deposit date:2001-03-15
Release date:2003-06-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate binding and catalysis in trichosanthin occur in different sites as revealed by the complex structures of several E85 mutants.
Protein Eng., 16, 2003
1GH2
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BU of 1gh2 by Molmil
Crystal structure of the catalytic domain of a new human thioredoxin-like protein
Descriptor: THIOREDOXIN-LIKE PROTEIN
Authors:Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z.
Deposit date:2000-11-01
Release date:2001-05-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002
1GIS
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BU of 1gis by Molmil
A TRICHOSANTHIN(TCS) MUTANT(E85Q) COMPLEX STRUCTURE WITH 2'-DEOXY-ADENOSIN-5'-MONOPHOSPHATE
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN
Authors:Guo, Q, Liu, Y, Dong, Y, Rao, Z.
Deposit date:2001-03-15
Release date:2003-06-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate binding and catalysis in trichosanthin occur in different sites as revealed by the complex structures of several E85 mutants.
Protein Eng., 16, 2003
1WPQ
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BU of 1wpq by Molmil
Ternary Complex Of Glycerol 3-phosphate Dehydrogenase 1 with NAD and dihydroxyactone
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, ...
Authors:Ou, X, Han, X, Rao, Z.
Deposit date:2004-09-10
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
6FYZ
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BU of 6fyz by Molmil
Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor
Descriptor: (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide, Histone deacetylase 4, SODIUM ION, ...
Authors:Luckhurst, C.A, Maillard, M.C, Dominguez, C.
Deposit date:2018-03-13
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor.
Bioorg. Med. Chem. Lett., 29, 2019
1WP8
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BU of 1wp8 by Molmil
crystal structure of Hendra Virus fusion core
Descriptor: Fusion glycoprotein F0,Fusion glycoprotein F0
Authors:Xu, Y, Liu, Y, Lou, Z, Su, N, Bai, Z, Gao, G.F, Rao, Z.
Deposit date:2004-08-31
Release date:2005-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Nipah and Hendra virus fusion core proteins
FEBS J., 273, 2006
2FR7
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BU of 2fr7 by Molmil
Crystal Structure of Cytochrome P450 CYP199A2
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
Authors:Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
Deposit date:2006-01-19
Release date:2007-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of CYP199A2, a para-substituted benzoic acid oxidizing cytochrome P450 from Rhodopseudomonas palustris
J.Mol.Biol., 383, 2008
1X0V
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BU of 1x0v by Molmil
Crystal Structure of Homo Sapien Glycerol-3-Phosphate Dehydrogenase 1
Descriptor: Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, SULFATE ION
Authors:Rao, Z, Ou, X.
Deposit date:2005-03-30
Release date:2006-04-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
1X0X
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BU of 1x0x by Molmil
Co-Structure of Homo Sapiens Glycerol-3-Phosphate Dehydrogenase 1 complex with NAD
Descriptor: Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Rao, Z, Ou, X.
Deposit date:2005-03-31
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
6H9B
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BU of 6h9b by Molmil
1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation
Descriptor: 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Varela, P.F, Gigant, B.
Deposit date:2018-08-03
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin-Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation.
J. Med. Chem., 62, 2019
2IC1
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BU of 2ic1 by Molmil
Crystal Structure of Human Cysteine Dioxygenase in Complex with Substrate Cysteine
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION
Authors:Ye, S, Wu, X, Wei, L, Tang, D, Sun, P, Rao, Z.
Deposit date:2006-09-12
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An Insight into the Mechanism of Human Cysteine Dioxygenase: KEY ROLES OF THE THIOETHER-BONDED TYROSINE-CYSTEINE COFACTOR.
J.Biol.Chem., 282, 2007
2G9T
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BU of 2g9t by Molmil
Crystal structure of the SARS coronavirus nsp10 at 2.1A
Descriptor: ZINC ION, orf1a polyprotein
Authors:Su, D, Lou, Z, Yang, H, Sun, F, Rao, Z.
Deposit date:2006-03-07
Release date:2006-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
2H2Z
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BU of 2h2z by Molmil
Crystal structure of SARS-CoV main protease with authentic N and C-termini
Descriptor: Replicase polyprotein 1ab
Authors:Yang, H, Xue, X, Shen, W, Zhao, Q, Rao, Z.
Deposit date:2006-05-20
Release date:2007-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
2GTI
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BU of 2gti by Molmil
mutation of MHV coronavirus non-structural protein nsp15 (F307L)
Descriptor: GLYCEROL, Replicase polyprotein 1ab, SULFATE ION
Authors:Xu, X, Zhai, Y, Sun, F, Lou, Z, Su, D, Rao, Z.
Deposit date:2006-04-28
Release date:2006-08-15
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:New Antiviral Target Revealed by the Hexameric Structure of Mouse Hepatitis Virus Nonstructural Protein nsp15
J.Virol., 80, 2006
2ESW
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BU of 2esw by Molmil
Atomic structure of the N-terminal SH3 domain of mouse beta PIX,p21-activated kinase (PAK)-interacting exchange factor
Descriptor: CHLORIDE ION, MERCURY (II) ION, Rho guanine nucleotide exchange factor 7
Authors:Rao, Z.
Deposit date:2005-10-27
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of the N-terminal SH3 domain of mouse betaPIX, p21-activated kinase-interacting exchange factor
Biochem.Biophys.Res.Commun., 339, 2006
2GA6
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BU of 2ga6 by Molmil
The crystal structure of SARS nsp10 without zinc ion as additive
Descriptor: ZINC ION, orf1a polyprotein
Authors:Su, D, Lou, Z, Sun, F, Zhai, Y, Yang, H, Rao, Z.
Deposit date:2006-03-08
Release date:2006-08-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
2GTH
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BU of 2gth by Molmil
crystal structure of the wildtype MHV coronavirus non-structural protein nsp15
Descriptor: Replicase polyprotein 1ab
Authors:Xu, X, Zhai, Y, Sun, F, Lou, Z, Su, D, Rao, Z.
Deposit date:2006-04-28
Release date:2006-08-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:New Antiviral Target Revealed by the Hexameric Structure of Mouse Hepatitis Virus Nonstructural Protein nsp15
J.Virol., 80, 2006

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數據於2024-08-07公開中

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