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7S6W
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BU of 7s6w by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Y
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BU of 7s6y by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S74
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BU of 7s74 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38
Descriptor: 3C-like proteinase, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Z
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BU of 7s6z by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S73
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BU of 7s73 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S70
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BU of 7s70 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Yang, K.S, Sankaran, B, Liu, W.R.
Deposit date:2021-09-15
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
4JOS
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BU of 4jos by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
Descriptor: 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ...
Authors:Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-18
Release date:2013-04-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
to be published
4JWT
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BU of 4jwt by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251 (Target NYSGRC-029304 )
Descriptor: 1,2-ETHANEDIOL, ADENINE, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-27
Release date:2013-05-08
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
To be Published
3AWT
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BU of 3awt by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 20 hr: occupancy of Cu(II) is high
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWY
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BU of 3awy by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie M84L mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWW
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BU of 3aww by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 80 hr: occupancy of CuA is high
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWV
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BU of 3awv by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 80 hr: occupancy of CuA is low
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWS
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BU of 3aws by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 20 hr: occupancy of Cu(II) is low
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AX0
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BU of 3ax0 by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie Y98F mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWZ
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BU of 3awz by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie H97Q mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWU
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BU of 3awu by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 40 h
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWX
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BU of 3awx by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie H82Q mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
5HZW
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BU of 5hzw by Molmil
Crystal structure of the orphan region of human endoglin/CD105 in complex with BMP9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Growth/differentiation factor 2, Maltose-binding periplasmic protein,Endoglin, ...
Authors:Bokhove, M, Saito, T, Jovine, L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.451 Å)
Cite:Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
4EJ6
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BU of 4ej6 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative zinc-binding dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-04-06
Release date:2012-05-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a putative zinc-binding dehydrogenase from Sinorhizobium meliloti 1021
To be Published
5I04
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BU of 5i04 by Molmil
Crystal structure of the orphan region of human endoglin/CD105
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ...
Authors:Saito, T, Bokhove, M, de Sanctis, D, Jovine, L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
4HC8
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BU of 4hc8 by Molmil
CRYSTAL STRUCTURE OF PROBABLE ENOYL-CoA HYDRATASE ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv
Descriptor: 1,2-ETHANEDIOL, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-09-28
Release date:2012-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of probable enoyl-CoA hydratase ECHA3 (Rv0632c, NYSGRC-019494) from Mycobacterium Tuberculosis H37Rv
To be Published
4EJM
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BU of 4ejm by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021 bound to NADP
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative zinc-binding dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-04-06
Release date:2012-05-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of a putative zinc-binding dehydrogenase (target nysgrc-012003) from sinorhizobium meliloti 1021 bound to NADP
To be Published
4HKT
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BU of 4hkt by Molmil
Crystal structure of a putative myo-inositol dehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Inositol 2-dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-10-15
Release date:2012-12-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative myo-inositoldehydrogenase from Sinorhizobium meliloti 1021 (Target PSI-012312)
to be published
3HRW
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BU of 3hrw by Molmil
Crystal structure of hemoglobin from mouse (Mus musculus)at 2.8
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sundaresan, S.S, Ramesh, P, Ponnuswamy, M.N.
Deposit date:2009-06-10
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of hemoglobin from mouse (Mus musculus) compared with those from other small animals and humans.
Acta Crystallogr.,Sect.F, 77, 2021
4KS2
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BU of 4ks2 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013

221716

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