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3R9J
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BU of 3r9j by Molmil
4.3A resolution structure of a MinD-MinE(I24N) protein complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division topological specificity factor, Septum site-determining protein minD
Authors:Lovell, S, Battaile, K.P, Park, K.-T, Wu, W, Holyoak, T, Lutkenhaus, J.
Deposit date:2011-03-25
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis.
Cell(Cambridge,Mass.), 146, 2011
3R9I
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BU of 3r9i by Molmil
2.6A resolution structure of MinD complexed with MinE (12-31) peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division topological specificity factor, Septum site-determining protein minD
Authors:Lovell, S, Battaile, K.P, Park, K.-T, Wu, W, Holyoak, T, Lutkenhaus, J.
Deposit date:2011-03-25
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis.
Cell(Cambridge,Mass.), 146, 2011
7X8R
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BU of 7x8r by Molmil
Cryo-EM structure of the Boc5-bound hGLP-1R-Gs complex
Descriptor: 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W.
Deposit date:2022-03-14
Release date:2022-06-29
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X8S
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BU of 7x8s by Molmil
Cryo-EM structure of the WB4-24-bound hGLP-1R-Gs complex
Descriptor: 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W.
Deposit date:2022-03-14
Release date:2022-06-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24.
Proc.Natl.Acad.Sci.USA, 119, 2022
9K2C
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BU of 9k2c by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ZY1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6~{S},9~{a}~{S})-6-(1~{H}-imidazol-5-ylmethyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Li, J.H, Wu, W, Zhang, T, Yang, C.-G.
Deposit date:2024-10-17
Release date:2025-02-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Guided Development of ClpP Agonists with Potent Therapeutic Activities against Staphylococcus aureus Infection.
J.Med.Chem., 68, 2025
9K2K
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BU of 9k2k by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ZY7
Descriptor: (6~{S},9~{a}~{S})-6-(2-methylpropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-(phenylmethyl)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit
Authors:Li, J.H, Wu, W, Zhang, T, Yang, C.-G.
Deposit date:2024-10-17
Release date:2025-02-19
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure-Guided Development of ClpP Agonists with Potent Therapeutic Activities against Staphylococcus aureus Infection.
J.Med.Chem., 68, 2025
9K2A
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BU of 9k2a by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ZY27
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6~{S},9~{a}~{S})-6-(3-azidopropyl)-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Wei, B.Y, Wang, P.Y, Wu, W, Zhang, T, Yang, C.-G.
Deposit date:2024-10-17
Release date:2025-02-19
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure-Guided Development of ClpP Agonists with Potent Therapeutic Activities against Staphylococcus aureus Infection.
J.Med.Chem., 68, 2025
9K2D
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BU of 9k2d by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ZY39
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit
Authors:Wei, B.Y, Wang, P.Y, Wu, W, Zhang, T, Yang, C.-G.
Deposit date:2024-10-17
Release date:2025-02-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Guided Development of ClpP Agonists with Potent Therapeutic Activities against Staphylococcus aureus Infection.
J.Med.Chem., 68, 2025
9K2B
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BU of 9k2b by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ZY18
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-~{N}-[(2~{S})-2-methylbutyl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Wei, B.Y, Wang, P.Y, Wu, W, Zhang, T, Yang, C.-G.
Deposit date:2024-10-17
Release date:2025-02-19
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Guided Development of ClpP Agonists with Potent Therapeutic Activities against Staphylococcus aureus Infection.
J.Med.Chem., 68, 2025
7W6V
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BU of 7w6v by Molmil
Crystal structure of a dicobalt-substituted small laccase at 2.47 angstrom
Descriptor: COBALT (II) ION, Putative copper oxidase
Authors:Yang, X, Wu, F, Wu, W, Chen, X, Fan, S, Yu, P, Mao, L.
Deposit date:2021-12-02
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A versatile artificial metalloenzyme scaffold enabling direct bioelectrocatalysis in solution.
Sci Adv, 8, 2022
7FJB
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BU of 7fjb by Molmil
KpAckA (PduW) with AMPPNP, sodium acetate complex structure
Descriptor: ACETATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable propionate kinase, ...
Authors:Wenyue, W, Zhang, Q, Bartlam, M.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:KpAckA (PduW) with AMPPNP, sodium acetate complex structure
To Be Published
2M2U
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BU of 2m2u by Molmil
Binary complex of African Swine Fever Virus Pol X with MgdGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Repair DNA polymerase X
Authors:Wu, W, Su, M, Tsai, M.
Deposit date:2013-01-03
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
2M2W
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BU of 2m2w by Molmil
Ternary complex of ASFV Pol X with DNA and MgdGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(P*GP*GP*CP*GP*AP*AP*GP*CP*CP*GP*GP*GP*TP*GP*CP*GP*AP*AP*GP*CP*AP*CP*(DOC))-3', MAGNESIUM ION, ...
Authors:Wu, W, Su, M, Tsai, M.
Deposit date:2013-01-03
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
2M2V
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BU of 2m2v by Molmil
African Swine Fever Virus Pol X in the ternary complex with MgdGTP and DNA
Descriptor: Repair DNA polymerase X
Authors:Wu, W, Su, M, Tsai, M.
Deposit date:2013-01-03
Release date:2014-04-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
2M2T
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BU of 2m2t by Molmil
ASFV Pol X structure
Descriptor: Repair DNA polymerase X
Authors:Wu, W, Su, M, Tsai, M.
Deposit date:2013-01-03
Release date:2014-04-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:How a low-fidelity DNA polymerase chooses non-Watson-Crick from Watson-Crick incorporation.
J.Am.Chem.Soc., 136, 2014
9BKV
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BU of 9bkv by Molmil
DosP R97A bent form
Descriptor: Oxygen sensor protein DosP, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kumar, P, Kober, D.L.
Deposit date:2024-04-29
Release date:2024-11-20
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
9BGV
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BU of 9bgv by Molmil
DosP R97A straight form
Descriptor: Oxygen sensor protein DosP, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kumar, P, Kober, D.L.
Deposit date:2024-04-19
Release date:2024-11-20
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
9CMF
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BU of 9cmf by Molmil
Substrate bound DosP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, OXYGEN MOLECULE, ...
Authors:Kumar, P, Kober, D.L.
Deposit date:2024-07-15
Release date:2024-11-20
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
9CLO
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BU of 9clo by Molmil
DosP R97A with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Oxygen sensor protein DosP, ...
Authors:Kumar, P, Kober, D.L.
Deposit date:2024-07-11
Release date:2024-11-20
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
9CE0
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BU of 9ce0 by Molmil
DosP Apo Bent form
Descriptor: OXYGEN MOLECULE, Oxygen sensor protein DosP, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kumar, P, Kober, D.L.
Deposit date:2024-06-25
Release date:2024-11-20
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
9CDR
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BU of 9cdr by Molmil
DosP Apo straight form
Descriptor: OXYGEN MOLECULE, Oxygen sensor protein DosP, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kumar, P, Kober, D.L.
Deposit date:2024-06-25
Release date:2024-11-20
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
5V5O
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BU of 5v5o by Molmil
Structure of NLS2K of influenza A virus nucleoprotein bound to importin alpha
Descriptor: Importin subunit alpha-1, Nucleoprotein
Authors:Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Synergy of two low-affinity NLSs determines the high avidity of influenza A virus nucleoprotein NP for human importin alpha isoforms.
Sci Rep, 7, 2017
5V5P
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BU of 5v5p by Molmil
Structure of NLS2R of influenza A virus nucleoprotein bound to importin alpha
Descriptor: Importin subunit alpha-1, Nucleoprotein
Authors:Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Synergy of two low-affinity NLSs determines the high avidity of influenza A virus nucleoprotein NP for human importin alpha isoforms.
Sci Rep, 7, 2017
9M3O
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BU of 9m3o by Molmil
Crystal structure of human pyruvate dehydrogenase kinase isoform 1 in complex with ATP competitive inhibitor 8
Descriptor: 6-fluoranyl-8-(methylamino)-N-(pyrimidin-5-ylmethyl)-9H-pyrido[2,3-b]indole-3-carboxamide, GLYCEROL, POTASSIUM ION, ...
Authors:Xu, Z.H, Chen, S.
Deposit date:2025-03-03
Release date:2025-04-02
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Discovery of ATP competitive PDHK1/2 dual inhibitors.
Bioorg.Med.Chem.Lett., 122, 2025
9M3P
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BU of 9m3p by Molmil
Crystal structure of human pyruvate dehydrogenase kinase isoform 1 in complex with ATP competitive inhibitor 3
Descriptor: GLYCEROL, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, POTASSIUM ION, ...
Authors:Xu, Z.H, Chen, S.
Deposit date:2025-03-03
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of ATP competitive PDHK1/2 dual inhibitors.
Bioorg.Med.Chem.Lett., 122, 2025

238582

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