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PDB: 2810 results
7GKE
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BU of 7gke by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-dd3ad2b5-3 (Mpro-P0851)
Descriptor: (4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GKU
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BU of 7gku by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-4223bc15-40 (Mpro-P1079)
Descriptor: (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GLA
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BU of 7gla by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-86c60949-2 (Mpro-P1812)
Descriptor: (4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GLQ
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BU of 7glq by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-8df914d1-2 (Mpro-P2007)
Descriptor: 2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GM5
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BU of 7gm5 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5cd9ea36-2 (Mpro-P2089)
Descriptor: (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GMK
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BU of 7gmk by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-d899bab6-1 (Mpro-P2201)
Descriptor: 2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GMW
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BU of 7gmw by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e119ab4f-1 (Mpro-P2224)
Descriptor: (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GNJ
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BU of 7gnj by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-976a33d5-1 (Mpro-P2724)
Descriptor: 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
Authors:Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
Deposit date:2023-08-11
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
3LIE
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BU of 3lie by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase vpHK1S-Z8
Descriptor: MAGNESIUM ION, Putative sensory box/GGDEF family protein
Authors:Zhang, Z, Hendrickson, W.A.
Deposit date:2010-01-24
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3LIC
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BU of 3lic by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase soHK1S-Z6
Descriptor: 1,2-ETHANEDIOL, Sensor protein
Authors:Zhang, Z, Hendrickson, W.A.
Deposit date:2010-01-24
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3LID
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BU of 3lid by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase vpHK1S-Z8
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Zhang, Z, Hendrickson, W.A.
Deposit date:2010-01-24
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3LI9
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BU of 3li9 by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase mmHK1S-Z2
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Hypothetical sensory transduction histidine kinase
Authors:Zhang, Z, Hendrickson, W.A.
Deposit date:2010-01-24
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3LCK
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BU of 3lck by Molmil
THE KINASE DOMAIN OF HUMAN LYMPHOCYTE KINASE (LCK), ACTIVATED FORM (AUTO-PHOSPHORYLATED ON TYR394)
Descriptor: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE, SULFATE ION
Authors:Yamaguchi, H, Hendrickson, W.A.
Deposit date:1997-04-08
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for activation of human lymphocyte kinase Lck upon tyrosine phosphorylation.
Nature, 384, 1996
3LI8
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BU of 3li8 by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase mmHK1S-Z2
Descriptor: 1,2-ETHANEDIOL, Hypothetical sensory transduction histidine kinase, SULFATE ION
Authors:Zhang, Z, Hendrickson, W.A.
Deposit date:2010-01-24
Release date:2010-05-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3LIA
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BU of 3lia by Molmil
Crystal Structure of the extracellular domain of the putative histidine kinase mmHK1S-Z2
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Hypothetical sensory transduction histidine kinase, SULFATE ION
Authors:Zhang, Z, Hendrickson, W.A.
Deposit date:2010-01-24
Release date:2010-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural characterization of the predominant family of histidine kinase sensor domains.
J.Mol.Biol., 400, 2010
3HZN
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BU of 3hzn by Molmil
Structure of the Salmonella typhimurium nfnB dihydropteridine reductase
Descriptor: ACETATE ION, CHLORIDE ION, CITRATE ANION, ...
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-06-23
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the Salmonella typhimurium nfnB dihydropteridine reductase
TO BE PUBLISHED
8ENA
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BU of 8ena by Molmil
Thaumatin native-SAD structure determined at 5 keV with a helium environmet
Descriptor: Thaumatin-1
Authors:Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q.
Deposit date:2022-09-29
Release date:2022-11-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
8EN9
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BU of 8en9 by Molmil
TehA native-SAD structure determined at 5 keV with a helium environment
Descriptor: CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ...
Authors:Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q.
Deposit date:2022-09-29
Release date:2022-11-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
3M78
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BU of 3m78 by Molmil
Crystal Structure of Plant SLAC1 homolog TehA
Descriptor: Tellurite resistance protein tehA homolog, octyl beta-D-glucopyranoside
Authors:Chen, Y.-H, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-03-16
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Plant SLAC1 homolog TehA
To be Published
3M72
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BU of 3m72 by Molmil
Crystal Structure of Plant SLAC1 homolog TehA
Descriptor: Tellurite resistance protein tehA homolog, octyl beta-D-glucopyranoside
Authors:Chen, Y.-H, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-03-16
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Plant SLAC1 homolog TehA
To be Published
3M74
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BU of 3m74 by Molmil
Crystal Structure of Plant SLAC1 homolog TehA
Descriptor: Tellurite resistance protein tehA homolog, octyl beta-D-glucopyranoside
Authors:Chen, Y.-H, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-03-16
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Homologue structure of the SLAC1 anion channel for closing stomata in leaves.
Nature, 467, 2010
3M7E
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BU of 3m7e by Molmil
Crystal Structure of Plant SLAC1 homolog TehA
Descriptor: Tellurite resistance protein tehA homolog, octyl beta-D-glucopyranoside
Authors:Chen, Y.-H, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-03-16
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Plant SLAC1 homolog TehA
To be Published
3M7L
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BU of 3m7l by Molmil
Crystal Structure of Plant SLAC1 homolog TehA
Descriptor: Tellurite resistance protein tehA homolog, octyl beta-D-glucopyranoside
Authors:Chen, Y.-H, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-03-16
Release date:2010-05-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Homologue structure of the SLAC1 anion channel for closing stomata in leaves.
Nature, 467, 2010
7YLK
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BU of 7ylk by Molmil
Myoglobin containing Ir complex
Descriptor: Myoglobin, SULFATE ION, delta-{1-([2,2'-bipyridin]-5-ylmethyl)pyrrolidine-2,5-dione}bis[2-(2,4-difluorophenyl)pyridine)]iridium(III), ...
Authors:Lee, J.H, Song, W.J.
Deposit date:2022-07-26
Release date:2023-03-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Photocatalytic C-O Coupling Enzymes That Operate via Intramolecular Electron Transfer.
J.Am.Chem.Soc., 145, 2023
5TXU
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BU of 5txu by Molmil
1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Apo Conformation
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Nocadello, S, Minasov, G, Kiryukhina, O, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-11-17
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Apo Conformation
To Be Published

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