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5FTM
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BU of 5ftm by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation II)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTK
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BU of 5ftk by Molmil
Cryo-EM structure of human p97 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTL
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BU of 5ftl by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation I)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTN
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BU of 5ftn by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation III)
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTJ
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BU of 5ftj by Molmil
Cryo-EM structure of human p97 bound to UPCDC30245 inhibitor
Descriptor: 1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE, ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
3QIT
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BU of 3qit by Molmil
Thioesterase Domain From Curacin Biosynthetic Pathway
Descriptor: Polyketide synthase
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-01-27
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Terminal Alkene Formation by the Thioesterase of Curacin A Biosynthesis: STRUCTURE OF A DECARBOXYLATING THIOESTERASE.
J.Biol.Chem., 286, 2011
6WUW
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BU of 6wuw by Molmil
Crystal structure of Human Serum Albumin complex with JMS-053
Descriptor: 1,2-ETHANEDIOL, 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione, MYRISTIC ACID, ...
Authors:Czub, M.P, Cooper, D.R, Shabalin, I.G, Lazo, J.S, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-05
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.
Mol.Pharmacol., 98, 2020
3NF3
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BU of 3nf3 by Molmil
Crystal structure of BoNT/A LC with JTH-NB-7239 peptide
Descriptor: BoNT/A, JTH-NB72-39 inhibitor, NICKEL (II) ION, ...
Authors:Zuniga, J.E.
Deposit date:2010-06-09
Release date:2010-07-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iterative structure-based peptide-like inhibitor design against the botulinum neurotoxin serotype A.
Plos One, 5, 2010
4GBM
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BU of 4gbm by Molmil
Sulfotransferase Domain from the Curacin Biosynthetic Pathway
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, CHLORIDE ION, CurM Sulfotransferase, ...
Authors:McCarthy, J.G, Smith, J.L.
Deposit date:2012-07-27
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural basis of functional group activation by sulfotransferases in complex metabolic pathways.
Acs Chem.Biol., 7, 2012
4GOX
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BU of 4gox by Molmil
Sulfotransferase Domain from the Synechococcus PCC 7002 Olefin Synthase
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Polyketide synthase
Authors:McCarthy, J.G, Smith, J.L.
Deposit date:2012-08-20
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of functional group activation by sulfotransferases in complex metabolic pathways.
Acs Chem.Biol., 7, 2012
2ISH
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BU of 2ish by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form C
Descriptor: Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2ISE
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BU of 2ise by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form A
Descriptor: Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2ISG
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BU of 2isg by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form B
Descriptor: NICKEL (II) ION, Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2KBU
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BU of 2kbu by Molmil
NMR solution structure of Pin1 WW domain mutant with beta turn mimic at position 12
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Fuller, A.A, Bhabha, G, Case, D.A.
Deposit date:2008-12-08
Release date:2009-07-07
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Evaluating beta-turn mimics as beta-sheet folding nucleators.
Proc.Natl.Acad.Sci.USA, 106, 2009
6ECW
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BU of 6ecw by Molmil
StiD O-MT residues 956-1266
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECX
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BU of 6ecx by Molmil
StiE O-MT residues 942-1257
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, StiE protein
Authors:Skiba, M.A, Bivins, M.B, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECV
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BU of 6ecv by Molmil
StiD O-MT residues 976-1266
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECT
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BU of 6ect by Molmil
StiE O-MT residues 961-1257
Descriptor: S-ADENOSYLMETHIONINE, StiE protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
6ECU
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BU of 6ecu by Molmil
SeMet substituted StiD O-MT residues 976-1266
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, StiD protein
Authors:Skiba, M.A, Bivins, M.M, Smith, J.L.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018

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