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8YX4
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BU of 8yx4 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P31
Descriptor: 2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]-5-[3-(4-methyl-4-oxidanyl-piperidin-1-yl)azetidin-1-yl]benzamide, CADMIUM ION, CHLORIDE ION, ...
Authors:Lu, Y, Shang, J.
Deposit date:2024-04-02
Release date:2024-12-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX2
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BU of 8yx2 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P4
Descriptor: Papain-like protease nsp3, ZINC ION, ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
Authors:Lu, Y, Shang, J.
Deposit date:2024-04-02
Release date:2024-12-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX5
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BU of 8yx5 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P35
Descriptor: 5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide, GLYCEROL, Papain-like protease nsp3, ...
Authors:Lu, Y, Shang, J.
Deposit date:2024-04-02
Release date:2024-12-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
7SJY
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BU of 7sjy by Molmil
Crystal structure of Clostridium thermocellum RsgI9 S1C-NTF2 bi-domain
Descriptor: Anti-sigma-I factor RsgI9, GLYCEROL
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2021-10-19
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of the Clostridium thermocellum RsgI9 ectodomain provides insight into the mechanism of biomass sensing.
Proteins, 90, 2022
4X30
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BU of 4x30 by Molmil
Crystal structure of human Thyroxine-binding globulin complexed with thyroine at 1.55 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 3,5,3',5'-TETRAIODO-L-THYRONINE, FLUORIDE ION, ...
Authors:Qi, X.
Deposit date:2014-11-27
Release date:2015-12-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human Thyroxine-binding globulin complexed with thyroine at 1.55 Angstrom resolution
To Be Published
8OVY
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BU of 8ovy by Molmil
Structure of analogue of superfolded GFP
Descriptor: Green fluorescent protein
Authors:Dunkelmann, D, Fiedler, M, Bellini, D, Alvira, C.P, Chin, J.W.
Deposit date:2023-04-26
Release date:2024-01-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Adding alpha , alpha-disubstituted and beta-linked monomers to the genetic code of an organism.
Nature, 625, 2024
6I3I
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BU of 6i3i by Molmil
Crystal structure of reactive center loop (RCL) cleaved angiotensinogen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen
Authors:Yan, Y, Read, R.J.
Deposit date:2018-11-06
Release date:2018-12-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural basis for the specificity of renin-mediated angiotensinogen cleavage.
J. Biol. Chem., 294, 2019
7WN6
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BU of 7wn6 by Molmil
Cryo-EM structure of VWF D'D3 dimer (R1136M/E1143M mutant) complexed with D1D2 at 3.29 angstron resolution (2 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-17
Release date:2022-05-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural mechanism of VWF D'D3 dimer formation.
Cell Discov, 8, 2022
7WQT
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BU of 7wqt by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (VWF tube)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-26
Release date:2022-05-25
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WN4
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BU of 7wn4 by Molmil
Cryo-EM structure of VWF D'D3 dimer (wild type) complexed with D1D2 at 3.4 angstron resolution (1 unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-17
Release date:2022-05-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural mechanism of VWF D'D3 dimer formation.
Cell Discov, 8, 2022
7WPS
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BU of 7wps by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (7 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPQ
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BU of 7wpq by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 3.27 angstron resolution (2 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.267 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WPP
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BU of 7wpp by Molmil
Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 2.85 angstron resolution (1 unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
7WN3
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BU of 7wn3 by Molmil
Cryo-EM structure of VWF D'D3 dimer (2M mutant) complexed with D1D2 at 3.29 angstron resolution (2 units)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-17
Release date:2022-05-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural mechanism of VWF D'D3 dimer formation.
Cell Discov, 8, 2022
7WPR
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BU of 7wpr by Molmil
VWF D'D3 dimer complexed with D1D2 at 4.39 angstron resolution(VWF tube)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ...
Authors:Zeng, J.W, Shu, Z.M, Zhou, A.W.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
6I3F
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BU of 6i3f by Molmil
Crystal structure of the complex of human angiotensinogen and renin at 2.55 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensinogen, ...
Authors:Yan, Y, Read, R.J.
Deposit date:2018-11-06
Release date:2018-12-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for the specificity of renin-mediated angiotensinogen cleavage.
J. Biol. Chem., 294, 2019
6BB3
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BU of 6bb3 by Molmil
Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chen, Z, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB1
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BU of 6bb1 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB2
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BU of 6bb2 by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAG
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BU of 6bag by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB0
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BU of 6bb0 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAZ
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BU of 6baz by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAD
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BU of 6bad by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6B42
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BU of 6b42 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) 2'-deoxy-AMP complex at 1.13A resolution
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2017-09-25
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published

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