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7LZY
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BU of 7lzy by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c
Descriptor: (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
Deposit date:2021-03-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7M01
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BU of 7m01 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 14c
Descriptor: (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
Deposit date:2021-03-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7LZT
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BU of 7lzt by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8b
Descriptor: (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
Deposit date:2021-03-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7LZX
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BU of 7lzx by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 1c
Descriptor: (1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
Deposit date:2021-03-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7LZU
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BU of 7lzu by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 12b
Descriptor: (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
Deposit date:2021-03-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7M04
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BU of 7m04 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with inhibitor 21c
Descriptor: (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O.
Deposit date:2021-03-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies.
J.Med.Chem., 64, 2021
7M5W
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BU of 7m5w by Molmil
Crystal structure of the HMG-C1 domain of human capicua bound to DNA
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*TP*TP*TP*TP*TP*CP*AP*TP*TP*CP*AP*TP*AP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*TP*GP*AP*AP*TP*GP*AP*AP*AP*AP*AP*GP*C)-3'), ...
Authors:Webb, J.P, Liew, J.J.M, Gnann, A.D, Dowling, D.P.
Deposit date:2021-03-25
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular basis of DNA recognition by the HMG-box-C1 module of Capicua
Biorxiv, 2022
7LS1
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BU of 7ls1 by Molmil
80S ribosome from mouse bound to eEF2 (Class II)
Descriptor: 28S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T.
Deposit date:2021-02-17
Release date:2021-11-03
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance.
Nat Commun, 12, 2021
7LS2
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BU of 7ls2 by Molmil
80S ribosome from mouse bound to eEF2 (Class I)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T.
Deposit date:2021-02-17
Release date:2021-11-03
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance.
Nat Commun, 12, 2021
7L7V
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BU of 7l7v by Molmil
Crystal structure of Arabidopsis NRG1.1 CC-R domain K94E/K96E/R99E/K100E/R103E/K106E/K110E mutant
Descriptor: Probable disease resistance protein At5g66900
Authors:Walton, W.G, Wan, L, Lietzan, A.D, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-12-30
Release date:2021-06-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Plant "helper" immune receptors are Ca 2+ -permeable nonselective cation channels.
Science, 373, 2021
7L7W
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BU of 7l7w by Molmil
Crystal structure of Arabidopsis NRG1.1 CC-R domain K94E/K96E mutant
Descriptor: NICKEL (II) ION, Probable disease resistance protein At5g66900
Authors:Walton, W.G, Wan, L, Lietzan, A.D, Redinbo, M.R, Dangl, J.L.
Deposit date:2020-12-30
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Plant "helper" immune receptors are Ca 2+ -permeable nonselective cation channels.
Science, 373, 2021
7MWX
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BU of 7mwx by Molmil
Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy Chain, ...
Authors:Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
Deposit date:2021-05-17
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
7MWS
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BU of 7mws by Molmil
Crystal structure of tamarin CD81 large extracellular loop
Descriptor: CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL
Authors:Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
Deposit date:2021-05-17
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
7MWW
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BU of 7mww by Molmil
Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ...
Authors:Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
Deposit date:2021-05-17
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
7NBA
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BU of 7nba by Molmil
Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ...
Authors:Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
7NB8
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BU of 7nb8 by Molmil
Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule.
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ...
Authors:Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
7N0M
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BU of 7n0m by Molmil
Inactivated state of 2-APB-bound wildtype rat TRPV2 in nanodiscs
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y.
Deposit date:2021-05-25
Release date:2022-05-04
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
7N0N
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BU of 7n0n by Molmil
Activated state of 2-APB-bound wildtype rat TRPV2 in nanodiscs
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y.
Deposit date:2021-05-25
Release date:2022-05-04
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
7ODC
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BU of 7odc by Molmil
CRYSTAL STRUCTURE ORNITHINE DECARBOXYLASE FROM MOUSE, TRUNCATED 37 RESIDUES FROM THE C-TERMINUS, TO 1.6 ANGSTROM RESOLUTION
Descriptor: PROTEIN (ORNITHINE DECARBOXYLASE), PYRIDOXAL-5'-PHOSPHATE
Authors:Kern, A.D, Oliveira, M.A, Coffino, P, Hackert, M.L.
Deposit date:1999-03-03
Release date:1999-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of mammalian ornithine decarboxylase at 1.6 A resolution: stereochemical implications of PLP-dependent amino acid decarboxylases.
Structure Fold.Des., 7, 1999
5OAH
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BU of 5oah by Molmil
THE PERIPLASMIC BINDING PROTEIN CEUE OF CAMPYLOBACTER JEJUNI BINDS THE IRON(III) COMPLEX OF Azotochelin
Descriptor: Azotochelin, Enterochelin ABC transporter substrate-binding protein, FE (III) ION
Authors:Raines, A.D.J, Blagova, E, Dodson, E.J, Wilson, K.S, Duhme-Klair, A.K.
Deposit date:2017-06-22
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly
Nat Catal, 2018
7YJ4
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BU of 7yj4 by Molmil
Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-19
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YK6
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BU of 7yk6 by Molmil
Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
Descriptor: 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YK7
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BU of 7yk7 by Molmil
Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
2M7P
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BU of 2m7p by Molmil
RXFP1 utilises hydrophobic moieties on a signalling surface of the LDLa module to mediate receptor activation
Descriptor: CALCIUM ION, Low-density lipoprotein receptor, Relaxin receptor 1
Authors:Kong, R.CK, Petrie, E.J, Mohanty, B, Ling, J, Lee, J.C.Y, Gooley, P.R, Bathgate, R.A.D.
Deposit date:2013-04-29
Release date:2013-08-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The relaxin receptor (RXFP1) utilizes hydrophobic moieties on a signaling surface of its N-terminal low density lipoprotein class A module to mediate receptor activation.
J.Biol.Chem., 288, 2013
3AQD
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BU of 3aqd by Molmil
Unliganded TRAP
Descriptor: Transcription attenuation protein mtrB
Authors:Malay, A.A.D, Watanabe, M, Heddle, J.G, Tame, J.R.H.
Deposit date:2010-10-29
Release date:2010-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Allostery in TRAP
To be Published

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