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8Y9V
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BU of 8y9v by Molmil
ZIKV NS2B/NS3 protease
Descriptor: DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B
Authors:Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
Deposit date:2024-02-07
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YA1
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BU of 8ya1 by Molmil
HEN EGG WHITE LYSOZYME
Descriptor: Lysozyme C
Authors:Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
Deposit date:2024-02-07
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YA5
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BU of 8ya5 by Molmil
Mpro from SARS-CoV-2
Descriptor: 3C-like proteinase
Authors:Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
Deposit date:2024-02-07
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
6NKK
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BU of 6nkk by Molmil
Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKI
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BU of 6nki by Molmil
Structure of PhqB Reductase Domain from Penicillium fellutanum
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKM
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BU of 6nkm by Molmil
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
Descriptor: 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKH
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BU of 6nkh by Molmil
Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
Descriptor: Short chain dehydrogenase
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
8XAX
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BU of 8xax by Molmil
Cryo-EM structure of an anti-phage defense complex bound to AMPPNP and DNA at state 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ...
Authors:An, Q, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
8XAU
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BU of 8xau by Molmil
Cryo-EM structure of HerA
Descriptor: ATP-binding protein
Authors:Wang, Y, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
8XAV
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BU of 8xav by Molmil
Cryo-EM structure of an anti-phage defense complex
Descriptor: ATP-binding protein, DUF4297
Authors:Wang, Y, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
8XAW
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BU of 8xaw by Molmil
Cryo-EM structure of an anti-phage defense complex bound to AMPPNP and DNA at state 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ...
Authors:An, Q, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
8XAY
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BU of 8xay by Molmil
Cryo-EM structure of an anti-phage defense complex bound to ATPrS and DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ...
Authors:An, Q, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
Descriptor: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
Authors:Muckelbauer, J.K, Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
Descriptor: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
Authors:Muckelbauer, J.K, Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
3G4D
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BU of 3g4d by Molmil
Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis
Descriptor: (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL
Authors:Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W.
Deposit date:2009-02-03
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
6PVF
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BU of 6pvf by Molmil
Crystal structure of PhqK in complex with malbrancheamide B
Descriptor: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVH
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BU of 6pvh by Molmil
Crystal structure of PhqK in complex with paraherquamide K
Descriptor: (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVG
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BU of 6pvg by Molmil
Crystal structure of ligand free PhqK
Descriptor: FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVI
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BU of 6pvi by Molmil
Crystal structure of PhqK in complex with paraherquamide L
Descriptor: (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVJ
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BU of 6pvj by Molmil
Crystal structure of PhqK in complex with malbrancheamide C
Descriptor: (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
3G4F
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BU of 3g4f by Molmil
Crystal Structure of (+)- -Cadinene Synthase from Gossypium arboreum in complex with 2-fluorofarnesyl diphosphate
Descriptor: (+)-delta-cadinene synthase isozyme XC1, (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, BETA-MERCAPTOETHANOL, ...
Authors:Gennadios, H.A, Di Costanzo, L, Christianson, D.W.
Deposit date:2009-02-03
Release date:2009-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
8GWO
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BU of 8gwo by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-11-30
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWG
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BU of 8gwg by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWI
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BU of 8gwi by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
Authors:Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
Deposit date:2022-09-17
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022

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