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5FE3
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BU of 5fe3 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB360 (fragment 4)
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1,2-benzoxazol-3-amine, Histone acetyltransferase KAT2B
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE5
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BU of 5fe5 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7)
Descriptor: 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FCS
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BU of 5fcs by Molmil
Diabody
Descriptor: Diabody, SULFATE ION
Authors:Mosyak, L, Root, A.
Deposit date:2015-12-15
Release date:2016-12-14
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Development of PF-06671008, a Highly Potent Anti-P-cadherin/Anti-CD3 Bispecific DART Molecule with Extended Half-Life for the Treatment of Cancer.
Antibodies, 5, 2016
5FHB
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BU of 5fhb by Molmil
Crystal Structure of Protective Ebola Virus Antibody 100
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Antibody 100 Fab heavy chain, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-12-21
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structural and molecular basis for Ebola virus neutralization by protective human antibodies.
Science, 351, 2016
5FHC
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BU of 5fhc by Molmil
Crystal Structure of Protective Human Antibodies 100 and 114 in Complex with Ebola Virus Fusion Glycoprotein (GP)
Descriptor: Antibody 100 Fab heavy chain, Antibody 100 Fab light chain, Antibody 114 Fab heavy chain, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-12-21
Release date:2016-03-16
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (6.704 Å)
Cite:Structural and molecular basis for Ebola virus neutralization by protective human antibodies.
Science, 351, 2016
2IFE
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BU of 2ife by Molmil
TRANSLATION INITIATION FACTOR IF3 FROM ESCHERICHIA COLI RIBOSOME BINDING DOMAIN (RESIDUES 84-180)
Descriptor: PROTEIN (TRANSLATION INITIATION FACTOR IF3)
Authors:De Cock, E, Garcia, C, Dardel, F.
Deposit date:1998-12-16
Release date:1998-12-23
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Interaction of E. Coli Translation Initiation Factor If3 with the Ribosome
To be Published
3ZTD
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BU of 3ztd by Molmil
pVHL54-213-EloB-EloC complex _ methyl 4-(((2S,4R)-4-hydroxy-1-(2-(3- methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamido)methyl)benzoate
Descriptor: METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
Authors:VanMolle, I, Buckley, D.L, Crews, C.M, Ciulli, A.
Deposit date:2011-07-07
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
5MPV
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BU of 5mpv by Molmil
Crystal structure of a Mycobacterium tuberculosis chorismate mutase optimized for high autonomous activity by directed evolution
Descriptor: Intracellular chorismate mutase
Authors:Thorbjornsrud, H.V, Kamarauskaite, J, Kast, P, Krengel, U.
Deposit date:2016-12-19
Release date:2018-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Evolving the naturally compromised chorismate mutase from Mycobacterium tuberculosis to top performance.
J.Biol.Chem., 295, 2020
2WCX
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BU of 2wcx by Molmil
Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
Descriptor: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S.
Deposit date:2009-03-17
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
3ZTC
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BU of 3ztc by Molmil
pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide
Descriptor: (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
Authors:Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A.
Deposit date:2011-07-06
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
7NUE
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BU of 7nue by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor EML736
Descriptor: Protein arginine N-methyltransferase 6, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2021-03-11
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
7NUD
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BU of 7nud by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor EML734
Descriptor: Protein arginine N-methyltransferase 6, methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2021-03-11
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
5UWD
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BU of 5uwd by Molmil
Crystal structure of EGFR kinase domain (L858R, T790M, V948R) in complex with the covalent inhibitor CO-1686
Descriptor: Epidermal growth factor receptor, N-(3-{[2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}phenyl)propanamide
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-02-21
Release date:2017-10-18
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Proteome-wide Map of Targets of T790M-EGFR-Directed Covalent Inhibitors.
Cell Chem Biol, 24, 2017
7RK2
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BU of 7rk2 by Molmil
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 2D9, an astrovirus-neutralizing antibody, at 2.65-A resolution
Descriptor: Capsid protein VP25, scFv 2D9
Authors:Meyer, L, Cuellar, C, DuBois, R.M.
Deposit date:2021-07-21
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells.
J.Virol., 96, 2022
7RK1
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BU of 7rk1 by Molmil
Crystal structure of the human astrovirus serotype 8 capsid spike in complex with scFv 3E8, an astrovirus-neutralizing antibody, at 2.05-A resolution
Descriptor: Capsid polyprotein VP70, scFv 3E8
Authors:Meyer, L, DuBois, R.M.
Deposit date:2021-07-21
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of Two Human Astrovirus Capsid/Neutralizing Antibody Complexes Reveal Distinct Epitopes and Inhibition of Virus Attachment to Cells.
J.Virol., 96, 2022
6P8L
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BU of 6p8l by Molmil
Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX (Zn Absorption Edge X-ray Data)
Descriptor: Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ...
Authors:Taylor, A.B, Cioloboc, D, Kurtz, D.M.
Deposit date:2019-06-07
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction.
Biochemistry, 59, 2020
6P8K
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BU of 6p8k by Molmil
Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX
Descriptor: Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ...
Authors:Taylor, A.B, Cioloboc, D, Kurtz, D.M.
Deposit date:2019-06-07
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction.
Biochemistry, 59, 2020
3FBL
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BU of 3fbl by Molmil
Crystal structure of ORF132 of the archaeal virus Acidianus Filamentous Virus 1 (AFV1)
Descriptor: CHLORIDE ION, Putative uncharacterized protein
Authors:Goulet, A, Leulliot, N, Prangishvili, D, van Tilbeurgh, H, Campanacci, V, Cambillau, C.
Deposit date:2008-11-19
Release date:2009-11-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Acidianus filamentous virus 1 coat proteins display a helical fold spanning the filamentous archaeal viruses lineage
Proc.Natl.Acad.Sci.USA, 106, 2009
1DEF
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BU of 1def by Molmil
PEPTIDE DEFORMYLASE CATALYTIC CORE (RESIDUES 1-147), NMR, 9 STRUCTURES
Descriptor: PEPTIDE DEFORMYLASE, ZINC ION
Authors:Meinnel, T, Dardel, F.
Deposit date:1996-03-19
Release date:1997-04-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A new subclass of the zinc metalloproteases superfamily revealed by the solution structure of peptide deformylase.
J.Mol.Biol., 262, 1996
5UP4
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BU of 5up4 by Molmil
Structure of the HIV-1 Capsid Protein and spacer peptide 1 by Cryo-EM
Descriptor: HIV-1 Capsid Protein and spacer peptide 1
Authors:Perilla, J.R, Schirra, R, Zhang, P, Schulten, K.
Deposit date:2017-02-01
Release date:2017-12-06
Last modified:2017-12-13
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Quenching protein dynamics interferes with HIV capsid maturation.
Nat Commun, 8, 2017
4UVH
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BU of 4uvh by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 10
Descriptor: ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
7PJJ
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BU of 7pjj by Molmil
Structure of the Family-3 Glycosyl Hydrolase BcpE2 from Streptomyces scabies
Descriptor: Beta-glucosidase, GLYCEROL
Authors:Jadot, C, Herman, R, Deflandre, B, Rigali, S, Kerff, F.
Deposit date:2021-08-24
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.086 Å)
Cite:Structure and Function of BcpE2, the Most Promiscuous GH3-Family Glucose Scavenging Beta-Glucosidase.
Mbio, 13, 2022
5V85
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BU of 5v85 by Molmil
The crystal structure of the protein of DegV family COG1307 from Ruminococcus gnavus ATCC 29149 (alternative refinement of PDB 3JR7 with Vaccenic acid)
Descriptor: EDD domain protein, DegV family, PHOSPHATE ION, ...
Authors:Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
Deposit date:2017-03-21
Release date:2018-11-21
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
1EG0
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BU of 1eg0 by Molmil
FITTING OF COMPONENTS WITH KNOWN STRUCTURE INTO AN 11.5 A CRYO-EM MAP OF THE E.COLI 70S RIBOSOME
Descriptor: FORMYL-METHIONYL-TRNA, FRAGMENT OF 16S RRNA HELIX 23, FRAGMENT OF 23S RRNA, ...
Authors:Gabashvili, I.S, Agrawal, R.K, Spahn, C.M.T, Grassucci, R.A, Svergun, D.I, Frank, J, Penczek, P.
Deposit date:2000-02-11
Release date:2000-03-06
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (11.5 Å)
Cite:Solution structure of the E. coli 70S ribosome at 11.5 A resolution.
Cell(Cambridge,Mass.), 100, 2000
1DQU
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BU of 1dqu by Molmil
CRYSTAL STRUCTURE OF THE ISOCITRATE LYASE FROM ASPERGILLUS NIDULANS
Descriptor: ISOCITRATE LYASE
Authors:Britton, K.L, Langridge, S.J, Baker, P.J, Weeradechapon, K, Sedelnikova, S.E, De Lucas, J.R, Rice, D.W, Turner, G.
Deposit date:2000-01-05
Release date:2000-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure and active site location of isocitrate lyase from the fungus Aspergillus nidulans.
Structure Fold.Des., 8, 2000

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