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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
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
3BNX
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BU of 3bnx by Molmil
Crystal structure of Aristolochene synthase complexed with farnesyl diphosphate
Descriptor: Aristolochene synthase, BETA-MERCAPTOETHANOL, FARNESYL DIPHOSPHATE, ...
Authors:Shishova, E.Y, Christianson, D.W.
Deposit date:2007-12-14
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
3BNY
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BU of 3bny by Molmil
Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP)
Descriptor: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
Authors:Shishova, E.Y, Christianson, D.W.
Deposit date:2007-12-14
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
7VLN
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BU of 7vln by Molmil
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
Descriptor: 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2
Authors:Cao, D.Y, Li, Y.L, Li, J, Xiong, B.
Deposit date:2021-10-05
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
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
5H0N
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BU of 5h0n by Molmil
Crystal structure of HIV-1 fusion inhibitor MT-WQ-IDL bound to gp41 NHR
Descriptor: HIV-1 fusion inhibitor MT-WQ-IDL, HIV-1 gp41 NHR
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2016-10-06
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Creating an Artificial Tail Anchor as a Novel Strategy To Enhance the Potency of Peptide-Based HIV Fusion Inhibitors
J. Virol., 91, 2017
5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5GUF
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BU of 5guf by Molmil
Structural insight into an intramembrane enzyme for archaeal membrane lipids biosynthesis
Descriptor: CDP-archaeol synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Cheng, W, Ren, S.
Deposit date:2016-08-29
Release date:2017-10-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structural and mechanistic insights into the biosynthesis of CDP-archaeol in membranes.
Cell Res., 27, 2017
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
Descriptor: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
Descriptor: Envelope glycoprotein,AP1, GLYCEROL
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
3T0H
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BU of 3t0h by Molmil
Structure insights into mechanisms of ATP hydrolysis and the activation of human Hsp90
Descriptor: Heat shock protein HSP 90-alpha
Authors:Li, J.
Deposit date:2011-07-20
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
3T0Z
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BU of 3t0z by Molmil
Hsp90 N-terminal domain bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Li, J.
Deposit date:2011-07-21
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
3T10
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BU of 3t10 by Molmil
HSP90 N-terminal domain bound to ACP
Descriptor: Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Li, J.
Deposit date:2011-07-21
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
8XEG
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BU of 8xeg by Molmil
Cryo-EM structure of Adeno-associated Virus 9P31 in 1.76 angstrom.
Descriptor: Capsid protein VP1
Authors:Zhang, R, Liu, Y, Lou, Z.
Deposit date:2023-12-12
Release date:2024-01-24
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (1.76 Å)
Cite:Structural basis of the recognition of adeno-associated virus by the neurological system-related receptor carbonic anhydrase IV.
Plos Pathog., 20, 2024
4M57
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BU of 4m57 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 from maize
Descriptor: Chloroplast pentatricopeptide repeat protein 10
Authors:Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
4NJL
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BU of 4njl by Molmil
Crystal structure of middle east respiratory syndrome coronavirus S2 protein fusion core
Descriptor: S protein, TRIETHYLENE GLYCOL
Authors:Zhu, Y, Lu, L, Qin, L, Ye, S, Jiang, S, Zhang, R.
Deposit date:2013-11-10
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based discovery of Middle East respiratory syndrome coronavirus fusion inhibitor.
Nat Commun, 5, 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
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
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
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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