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6IYT
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BU of 6iyt by Molmil
Crystal Structure of the acyltransferase domain from second module 14 of salinomycin polyketide synthase
Descriptor: Type I modular polyketide synthase
Authors:Zhang, F, Zheng, J.
Deposit date:2018-12-17
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
5W18
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BU of 5w18 by Molmil
Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
Descriptor: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
Authors:Lee, R.E, Griffith, E.C.
Deposit date:2017-06-02
Release date:2017-08-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
3LKZ
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BU of 3lkz by Molmil
Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase
Descriptor: GLYCEROL, Non-structural protein 5, SINEFUNGIN
Authors:Liu, L.H, Li, H.M.
Deposit date:2010-01-28
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase.
J.Biol.Chem., 285, 2010
3C17
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BU of 3c17 by Molmil
Hexagonal Crystal Structure of Precursor E. coli Isoaspartyl Peptidase/l-Asparaginase (ECAIII) with Active-site T179A mutation
Descriptor: CHLORIDE ION, L-asparaginase precursor, SODIUM ION
Authors:Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
Deposit date:2008-01-22
Release date:2008-04-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Mechanism of Autocatalytic Activation of Plant-type L-Asparaginases
J.Biol.Chem., 283, 2008
2ZAK
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BU of 2zak by Molmil
Orthorhombic crystal structure of precursor E. coli isoaspartyl peptidase/L-asparaginase (EcAIII) with active-site T179A mutation
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, L-asparaginase precursor, ...
Authors:Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
Deposit date:2007-10-07
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal packing of plant-type L-asparaginase from Escherichia coli
Acta Crystallogr.,Sect.D, 64, 2008
5VZ2
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BU of 5vz2 by Molmil
Structure of ClpP from Staphylococcus aureus in complex with Acyldepsipeptide
Descriptor: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide
Authors:Griffith, E.C, Lee, R.E.
Deposit date:2017-05-26
Release date:2017-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
6IYR
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BU of 6iyr by Molmil
Crystal Structure of the acyltransferase domain from module 8 of the salinomycin polyketide synthase
Descriptor: PHOSPHATE ION, Type I modular polyketide synthase
Authors:Zhang, F, Zheng, J.
Deposit date:2018-12-17
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
1XN6
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BU of 1xn6 by Molmil
Solution Structure of Northeast Structural Genomics Target Protein BcR68 encoded in gene Q816V6 of B. cereus
Descriptor: hypothetical protein BC4709
Authors:Liu, G, Acton, T, Parish, D, Ma, L, Xu, D, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-04
Release date:2004-12-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1XNE
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BU of 1xne by Molmil
Solution Structure of Pyrococcus furiosus Protein PF0470: The Northeast Structural Genomics Consortium Target PfR14
Descriptor: hypothetical protein PF0469
Authors:Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-04
Release date:2004-12-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR data collection and analysis protocol for high-throughput protein structure determination.
Proc.Natl.Acad.Sci.Usa, 102, 2005
5X3E
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BU of 5x3e by Molmil
kinesin 6
Descriptor: IODIDE ION, Kinesin-like protein, SULFATE ION
Authors:Chen, Z, Guan, R, Zhang, L.
Deposit date:2017-02-04
Release date:2017-04-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of Zen4 in the apo state reveals a missing conformation of kinesin
Nat Commun, 8, 2017
2QT5
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BU of 2qt5 by Molmil
Crystal Structure of GRIP1 PDZ12 in Complex with the Fras1 Peptide
Descriptor: (ASN)(ASN)(LEU)(GLN)(ASP)(GLY)(THR)(GLU)(VAL), 1,2-ETHANEDIOL, ACETIC ACID, ...
Authors:Long, J, Wei, Z, Feng, W, Zhao, Y, Zhang, M.
Deposit date:2007-08-01
Release date:2008-06-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Supramodular nature of GRIP1 revealed by the structure of its PDZ12 tandem in complex with the carboxyl tail of Fras1.
J.Mol.Biol., 375, 2008
4FZF
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BU of 4fzf by Molmil
Crystal structure of MST4-MO25 complex with DKI
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase MST4
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
4FZD
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BU of 4fzd by Molmil
Crystal structure of MST4-MO25 complex with WSF motif
Descriptor: C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ...
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
4FZA
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BU of 4fza by Molmil
Crystal structure of MST4-MO25 complex
Descriptor: Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
4I2X
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BU of 4i2x by Molmil
Crystal structure of Signal Regulatory Protein gamma (SIRP-gamma) in complex with FabOX117
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FabOX117 heavy chain, ...
Authors:Nettleship, J.E, Ren, J, Stuart, D.I, Owens, R.J, Oxford Protein Production Facility (OPPF)
Deposit date:2012-11-23
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of signal regulatory protein gamma (SIRP gamma) in complex with an antibody Fab fragment.
Bmc Struct.Biol., 13, 2013
1TXJ
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BU of 1txj by Molmil
Crystal structure of translationally controlled tumour-associated protein (TCTP) from Plasmodium knowlesi
Descriptor: translationally controlled tumour-associated protein (TCTP) from Plasmodium knowlesi, PKN_PFE0545c
Authors:Walker, J.R, Vedadi, M, Sharma, S, Houston, S, Lew, J, Amani, M, Wasney, G, Skarina, T, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2004-07-05
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3WGW
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BU of 3wgw by Molmil
Structure of PCNA bound to a small molecule inhibitor
Descriptor: 4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol, Proliferating cell nuclear antigen, SULFATE ION
Authors:Hashimoto, H.
Deposit date:2013-08-12
Release date:2014-02-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A small molecule inhibitor of monoubiquitinated Proliferating Cell Nuclear Antigen (PCNA) inhibits repair of interstrand DNA cross-link, enhances DNA double strand break, and sensitizes cancer cells to cisplatin.
J.Biol.Chem., 289, 2014
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
Deposit date:2012-08-30
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
8W8D
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BU of 8w8d by Molmil
Structural mechanism of inhibition of the Rho transcription termination factor by Rof
Descriptor: Protein rof, Transcription termination factor Rho
Authors:Zhang, J, Wang, C.
Deposit date:2023-09-01
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A widely conserved protein Rof inhibits transcription termination factor Rho and promotes Salmonella virulence program.
Nat Commun, 15, 2024
8X73
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BU of 8x73 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-069
Descriptor: Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
8X71
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BU of 8x71 by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-064
Descriptor: Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2023-11-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
3BNY
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BU of 3bny by Molmil
Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP)
Descriptor: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
Authors:Shishova, E.Y, Christianson, D.W.
Deposit date:2007-12-14
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
3BNX
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BU of 3bnx by Molmil
Crystal structure of Aristolochene synthase complexed with farnesyl diphosphate
Descriptor: Aristolochene synthase, BETA-MERCAPTOETHANOL, FARNESYL DIPHOSPHATE, ...
Authors:Shishova, E.Y, Christianson, D.W.
Deposit date:2007-12-14
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
Descriptor: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-07-31
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
3CYY
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BU of 3cyy by Molmil
The crystal structure of ZO-1 PDZ2 in complex with the Cx43 peptide
Descriptor: Tight junction protein ZO-1, peptide from Gap junction alpha-1 protein
Authors:Pan, L, Zhang, M.
Deposit date:2008-04-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Domain-swapped dimerization of ZO-1 PDZ2 generates specific and regulatory connexin43-binding sites
Embo J., 27, 2008

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