6HU3
 
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | | Descriptor: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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5DQ1
 | | Endothiapepsin in complex with fragment 34 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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2ZWL
 | | Human factor viia-tissue factor complexed with highly selective peptide inhibitor | | Descriptor: | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid, CALCIUM ION, Factor VII heavy chain, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | | Deposit date: | 2008-12-16 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human factor viia-tissue factor complexed with highly selective peptide inhibitor
To be Published
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3TQH
 | | Structure of the quinone oxidoreductase from Coxiella burnetii | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Quinone oxidoreductase, SULFATE ION | | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2016-01-20 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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7LMZ
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Hexa-ubiquitin, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN4
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 3) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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3TQP
 | | Structure of an enolase (eno) from Coxiella burnetii | | Descriptor: | Enolase, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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6HVA
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with 13 | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-10 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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7LMY
 | | Cryo-EM structure of human p97 in complex with NMS-873 in the presence of ATP, Npl4/Ufd1, and Ub6 | | Descriptor: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN2
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 1) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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3TRI
 | | Structure of a pyrroline-5-carboxylate reductase (proC) from Coxiella burnetii | | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... | | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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6HW9
 | | Yeast 20S proteasome in complex with 41b | | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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7LN0
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Hexa-ubiquitin, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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1JDV
 | | CRYSTAL STRUCTURE OF 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE COMPLEXED WITH ADENOSINE AND SULFATE ION | | Descriptor: | 5'-METHYLTHIOADENOSINE PHOSPHORYLASE, ADENOSINE, SULFATE ION | | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | | Deposit date: | 2001-06-15 | | Release date: | 2001-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
J.Biol.Chem., 276, 2001
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2N1F
 | | Structure and assembly of the mouse ASC filament by combined NMR spectroscopy and cryo-electron microscopy | | Descriptor: | Apoptosis-associated speck-like protein | | Authors: | Sborgi, L, Ravotti, F, Dandey, V, Dick, M, Mazur, A, Reckel, S, Chami, M, Scherer, S, Bockmann, A, Egelman, E, Stahlberg, H, Broz, P, Meier, B, Hiller, S. | | Deposit date: | 2015-04-01 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR | | Cite: | Structure and assembly of the mouse ASC inflammasome by combined NMR spectroscopy and cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7LN6
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (CHAPSO, Class 2, Open State) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN5
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (CHAPSO, Class 1, Close State) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN1
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and Ub6 (Class 3) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Hexa-ubiquitin, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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7LN3
 | | Cryo-EM structure of human p97 in complex with Npl4/Ufd1 and polyubiquitinated Ub-Eos (FOM, Class 2) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | | Deposit date: | 2021-02-06 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Mechanistic insight into substrate processing and allosteric inhibition of human p97.
Nat.Struct.Mol.Biol., 28, 2021
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1UY8
 | | Human Hsp90-alpha with 9-Butyl-8-(3-trimethoxy-benzyl)-9H-purin-6ylamine | | Descriptor: | 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | | Deposit date: | 2004-03-02 | | Release date: | 2004-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
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1UUS
 | | Structure of an activated Dictyostelium STAT in its DNA-unbound form | | Descriptor: | STAT PROTEIN | | Authors: | Soler-Lopez, M, Petosa, C, Fukuzawa, M, Ravelli, R, Williams, J.G, Muller, C.W. | | Deposit date: | 2004-01-09 | | Release date: | 2004-03-26 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of an Activated Dictyostelium Stat in its DNA-Unbound Form
Mol.Cell, 13, 2004
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6HSF
 | | Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051 | | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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1UYD
 | | Human Hsp90-alpha with 9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine | | Descriptor: | 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | | Deposit date: | 2004-03-02 | | Release date: | 2004-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
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1AYE
 | | HUMAN PROCARBOXYPEPTIDASE A2 | | Descriptor: | PROCARBOXYPEPTIDASE A2, ZINC ION | | Authors: | Garcia-Saez, I, Reverte, D, Vendrell, J, Aviles, F.X, Coll, M. | | Deposit date: | 1997-11-03 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The three-dimensional structure of human procarboxypeptidase A2. Deciphering the basis of the inhibition, activation and intrinsic activity of the zymogen.
EMBO J., 16, 1997
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6HVV
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with 39 | | Descriptor: | (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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