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1XYU
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BU of 1xyu by Molmil
Solution structure of the sheep prion protein with polymorphism H168
Descriptor: Major prion protein
Authors:Calzolai, L, Lysek, D.A, Guntert, P, Wuthrich, K.
Deposit date:2004-11-11
Release date:2005-01-04
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
1Y2S
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BU of 1y2s by Molmil
Ovine Prion Protein Variant R168
Descriptor: Major prion protein
Authors:Christen, B, Lysek, D.A, Herrmann, T, Wuthrich, K.
Deposit date:2004-11-23
Release date:2004-12-28
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
8DIE
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BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIF
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BU of 8dif by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIB
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BU of 8dib by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DII
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BU of 8dii by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIH
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BU of 8dih by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIC
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BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DID
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BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
6QYX
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BU of 6qyx by Molmil
p38(alpha) MAP kinase with the activation loop of ERK2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Livnah, O, Eitan-Wexler, M, Vinograd, N.
Deposit date:2019-03-10
Release date:2020-04-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
6RFP
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BU of 6rfp by Molmil
ERK2 MAP kinase with mutations at Helix-G
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Eitan-Wexler, M.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
6RFO
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BU of 6rfo by Molmil
ERK2 MAP kinase with the activation loop of p38alpha
Descriptor: Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1
Authors:Livnah, O, Eitan-Wexler, M.
Deposit date:2019-04-15
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
6T44
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BU of 6t44 by Molmil
Ovine lactoglobulin complex with decanol
Descriptor: Beta-lactoglobulin-1/B, DECAN-1-OL
Authors:Loch, J.I, Kopec, M, Lewinski, K.
Deposit date:2019-10-12
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational flexibility and ligand binding properties of ovine beta-lactoglobulin.
Acta Biochim.Pol., 66, 2019
7KQB
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BU of 7kqb by Molmil
SARS-CoV-2 spike glycoprotein:Fab 5A6 complex I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 5A6 heavy chain, Fab 5A6 light chain, ...
Authors:Asarnow, D, Charles, C, Cheng, Y.
Deposit date:2020-11-14
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7KQE
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BU of 7kqe by Molmil
SARS-CoV-2 spike glycoprotein:Fab 3D11 complex
Descriptor: Fab 3D11 heavy chain, Fab 3D11 light chain, Spike glycoprotein
Authors:Asarnow, D, Charles, C, Cheng, Y.
Deposit date:2020-11-15
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7M71
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BU of 7m71 by Molmil
SARS-CoV-2 Spike:5A6 Fab complex I focused refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ...
Authors:Asarnow, D, Cheng, Y.
Deposit date:2021-03-26
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7M7B
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BU of 7m7b by Molmil
SARS-CoV-2 Spike:Fab 3D11 complex focused refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ...
Authors:Asarnow, D, Cheng, Y.
Deposit date:2021-03-27
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
1QLS
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BU of 1qls by Molmil
S100C (S100A11),OR CALGIZZARIN, IN COMPLEX WITH ANNEXIN I N-TERMINUS
Descriptor: ANNEXIN I, CALCIUM ION, S100C PROTEIN
Authors:Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A.
Deposit date:1999-09-15
Release date:2000-02-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Ca2+ Dependent Association between S100C (S100A11) and its Target, the N-Terminal Part of Annexin I
Structure, 8, 2000
8PO9
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BU of 8po9 by Molmil
Polyethylene oxidation hexamerin PEase Cibeles (XP_026756460) from Galleria mellonella
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Arylphorin, ...
Authors:Illanes-Vicioso, R, Ruiz-Lopez, E, Sola, M, Bertocchini, F, Palomo, E.A.
Deposit date:2023-07-03
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva.
Sci Adv, 9, 2023
5IMP
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BU of 5imp by Molmil
Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5IMI
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BU of 5imi by Molmil
Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5IN8
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BU of 5in8 by Molmil
Crystal structure of Q151H Aspergillus terreus aristolochene synthase
Descriptor: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2016-03-07
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5IMN
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BU of 5imn by Molmil
Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
Descriptor: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2016-03-06
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5IVG
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BU of 5ivg by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase N299A complexed with farnesyl thiolodiphosphate
Descriptor: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2016-03-20
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016

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