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6BFT
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BU of 6bft by Molmil
Structure of Bevacizumab Fab mutant in complex with VEGF
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Avastin Heavy Chain Fab fragment mutant, Avastin Light Chain Fab fragment mutant, ...
Authors:Christie, M, Christ, D.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Stable human IgG antibody therapeutics with native framework structure
To Be Published
6BPY
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BU of 6bpy by Molmil
Aspergillus fumigatus Thioredoxin Reductase
Descriptor: ACETATE ION, D-MALATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Marshall, A.C, Bruning, J.B.
Deposit date:2017-11-27
Release date:2019-01-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structure, Mechanism, and Inhibition ofAspergillus fumigatusThioredoxin Reductase.
Antimicrob.Agents Chemother., 63, 2019
7MSQ
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BU of 7msq by Molmil
Complex between the Fab arm of AB-3467 and the SARS-CoV-2 receptor binding domain (RBD)
Descriptor: AB-3467 Fab Heavy Chain, AB-3467 Fab Light Chain, CHLORIDE ION, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2021-05-12
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Immunizations with diverse sarbecovirus receptor-binding domains elicit SARS-CoV-2 neutralizing antibodies against a conserved site of vulnerability.
Immunity, 54, 2021
6BGT
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BU of 6bgt by Molmil
Structure of Trastuzumab Fab mutant in complex with Her2 extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Herceptin heavy chain Fab fragment mutant, Herceptin light chain mutant, ...
Authors:Christie, M, Christ, D.
Deposit date:2017-10-29
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stable human IgG antibody therapeutics with native framework structure
To Be Published
6YA3
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BU of 6ya3 by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with guanosine
Descriptor: GUANOSINE, Lipoprotein, NICKEL (II) ION
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-11
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
4HFR
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BU of 4hfr by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017.
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid
Authors:Ogg, D.J, Gerhardt, S, Hargreaves, D.
Deposit date:2012-10-05
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017)
J.Med.Chem., 55, 2012
6YA4
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BU of 6ya4 by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-11
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YAB
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BU of 6yab by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with uridine
Descriptor: ACETATE ION, CACODYLATE ION, Lipoprotein, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-12
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6Y9U
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BU of 6y9u by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with adenosine
Descriptor: ACETATE ION, ADENOSINE, Lipoprotein, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-10
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YAG
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BU of 6yag by Molmil
Crystal structure of PnrA from S. pneumoniae in complex with thymidine
Descriptor: ACETATE ION, Lipoprotein, NICKEL (II) ION, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2020-03-12
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
3NCV
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BU of 3ncv by Molmil
NgoL
Descriptor: DNA mismatch repair protein mutL
Authors:Namadurai, S, Jain, D, Nair, D.T.
Deposit date:2010-06-05
Release date:2010-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The C-terminal domain of the MutL homolog from Neisseria gonorrhoeae forms an inverted homodimer
Plos One, 5, 2010
7AI7
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BU of 7ai7 by Molmil
MutS in Intermediate state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*CP*TP*TP*AP*GP*CP*TP*TP*AP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*TP*AP*AP*CP*TP*AP*AP*G)-3'), ...
Authors:Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H.
Deposit date:2020-09-26
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
7AIB
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BU of 7aib by Molmil
MutS-MutL in clamp state
Descriptor: DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ...
Authors:Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H.
Deposit date:2020-09-26
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
7AI5
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BU of 7ai5 by Molmil
MutS in Scanning state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*CP*GP*GP*TP*AP*CP*CP*CP*AP*AP*TP*TP*CP*GP*CP*CP*CP*TP*AP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*TP*AP*GP*GP*GP*CP*GP*AP*AP*TP*TP*GP*GP*GP*TP*AP*CP*CP*G)-3'), ...
Authors:Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H.
Deposit date:2020-09-26
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
7AI6
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BU of 7ai6 by Molmil
MutS in mismatch bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein MutS
Authors:Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H.
Deposit date:2020-09-26
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
7AIC
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BU of 7aic by Molmil
MutS-MutL in clamp state (kinked clamp domain)
Descriptor: DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ...
Authors:Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H.
Deposit date:2020-09-26
Release date:2021-03-31
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (5 Å)
Cite:The selection process of licensing a DNA mismatch for repair.
Nat.Struct.Mol.Biol., 28, 2021
3SKC
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BU of 3skc by Molmil
Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor
Descriptor: 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C, Sturgis, H.L.
Deposit date:2011-06-22
Release date:2011-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg.Med.Chem.Lett., 21, 2011
2GOJ
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BU of 2goj by Molmil
The crystal structure of the enzyme Fe-superoxide dismutase from Plasmodium falciparum
Descriptor: FE (II) ION, Fe-superoxide dismutase
Authors:Navarro, M.V.A.S, Garratt, R.C.
Deposit date:2006-04-13
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity
Proteins, 77, 2009
8Q1K
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BU of 8q1k by Molmil
Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ...
Authors:Roske, Y, Daumke, O, Damme, M.
Deposit date:2023-07-31
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation.
Nucleic Acids Res., 52, 2024
8Q1X
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BU of 8q1x by Molmil
Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ...
Authors:Roske, Y, Daumke, O, Damme, M.
Deposit date:2023-08-01
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation.
Nucleic Acids Res., 52, 2024
2GPC
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BU of 2gpc by Molmil
The crystal structure of the enzyme Fe-superoxide dismutase from Trypanosoma cruzi
Descriptor: FE (II) ION, MAGNESIUM ION, iron superoxide dismutase
Authors:Navarro, M.V.A.S, Garratt, R.C.
Deposit date:2006-04-17
Release date:2007-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity
Proteins, 77, 2009
4N1C
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BU of 4n1c by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Roome, B, Stock, D, Christ, D.
Deposit date:2013-10-03
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4N1E
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BU of 4n1e by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Stock, D, Christ, D.
Deposit date:2013-10-04
Release date:2014-10-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2GM9
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BU of 2gm9 by Molmil
Structure of rabbit muscle glycogen phosphorylase in complex with thienopyrrole
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ...
Authors:Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Minshull, C, Rowsell, S, Pauptit, R.A.
Deposit date:2006-04-06
Release date:2007-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
2GJ4
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BU of 2gj4 by Molmil
Structure of rabbit muscle glycogen phosphorylase in complex with ligand
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ...
Authors:Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Rowsell, S, Pauptit, R.A, Claire, M.
Deposit date:2006-03-30
Release date:2007-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006

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