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3UPX
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BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
Descriptor: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
5ZMS
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BU of 5zms by Molmil
Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
Descriptor: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
1EFI
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BU of 1efi by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH PARA-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE
Descriptor: 4-aminophenyl alpha-D-galactopyranoside, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN)
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2000-02-08
Release date:2000-02-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
6LAT
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BU of 6lat by Molmil
The cryo-EM structure of HEV VLP
Descriptor: Protein ORF2
Authors:Zheng, Q, He, M, Li, S.
Deposit date:2019-11-13
Release date:2019-12-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
6LB0
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BU of 6lb0 by Molmil
The cryo-EM structure of HEV VLP in complex with Fab 8C11
Descriptor: Protein ORF2
Authors:Zheng, Q, He, M, Li, S.
Deposit date:2019-11-13
Release date:2019-12-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
5CHL
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BU of 5chl by Molmil
Structural basis of H2A.Z recognition by YL1 histone chaperone component of SRCAP/SWR1 chromatin remodeling complex
Descriptor: Histone H2A.Z, Vacuolar protein sorting-associated protein 72 homolog
Authors:Shan, S, Liang, X, Pan, L, Wu, C, Zhou, Z.
Deposit date:2015-07-10
Release date:2016-03-09
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural basis of H2A.Z recognition by SRCAP chromatin-remodeling subunit YL1
Nat.Struct.Mol.Biol., 23, 2016
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
Descriptor: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
Descriptor: Ran guanine nucleotide release factor
Authors:Hu, Q, Liu, Y, Bao, X, Liu, H.
Deposit date:2017-09-21
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
Descriptor: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
4JBV
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BU of 4jbv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
Descriptor: 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.
Eur.J.Med.Chem., 74, 2014
3VCF
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BU of 3vcf by Molmil
SSV1 integrase C-terminal catalytic domain (174-335aa)
Descriptor: Probable integrase
Authors:Ouyang, S, Liang, W, Huang, L, Liu, Z.-J.
Deposit date:2012-01-04
Release date:2012-05-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional characterization of the C-terminal catalytic domain of SSV1 integrase.
Acta Crystallogr.,Sect.D, 68, 2012
4O1I
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BU of 4o1i by Molmil
Crystal Structure of the regulatory domain of MtbGlnR
Descriptor: Transcriptional regulatory protein
Authors:Lin, W, Wang, C, Zhang, P.
Deposit date:2013-12-16
Release date:2014-04-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4O1H
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BU of 4o1h by Molmil
Crystal Structure of the regulatory domain of AmeGlnR
Descriptor: Transcription regulator GlnR
Authors:Lin, W, Wang, C, Zhang, P.
Deposit date:2013-12-16
Release date:2014-04-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4NS5
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BU of 4ns5 by Molmil
Crystal structure of human BS69 Bromo-Zinc finger-PWWP
Descriptor: ZINC ION, Zinc finger MYND domain-containing protein 11
Authors:Wang, J.C, Qin, S, Li, F.D, Li, S, Zhang, W, Wu, J.H, Shi, Y.Y.
Deposit date:2013-11-28
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human BS69 Bromo-ZnF-PWWP reveals its role in H3K36me3 nucleosome binding.
Cell Res., 24, 2014
4HRI
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BU of 4hri by Molmil
Crystal structure of HetR in complex with a 21-bp palindromic DNA at the upstream of the hetP promoter from Anabaena
Descriptor: CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ...
Authors:Hu, H.X, Jiang, Y.L, Zhao, M.X, Chen, Y, Zhang, C.C, Zhou, C.Z.
Deposit date:2012-10-28
Release date:2013-04-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.954 Å)
Cite:Structural and biochemical analyses of Anabaena HetR reveal insights into its binding to DNA targets and the inhibitory hexapeptide ERGSGR
To be Published
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
Descriptor: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
Descriptor: BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Descriptor: BICARBONATE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-16
Release date:2022-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
Authors:Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
Deposit date:2020-01-17
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
8WM9
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BU of 8wm9 by Molmil
Fzd4/DEP complex
Descriptor: CHOLESTEROL HEMISUCCINATE, Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
Authors:He, Y, Qian, Y.
Deposit date:2023-10-03
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
8WMA
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BU of 8wma by Molmil
Fzd4/DEP complex (local refined)
Descriptor: Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
Authors:He, Y, Qian, Y.
Deposit date:2023-10-03
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
8P1U
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BU of 8p1u by Molmil
Structure of divisome complex FtsWIQLB
Descriptor: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ, ...
Authors:Yang, L, Chang, S, Tang, D, Dong, H.
Deposit date:2023-05-12
Release date:2024-05-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into the activation of the divisome complex FtsWIQLB.
Cell Discov, 10, 2024
6BFA
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BU of 6bfa by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553
Descriptor: 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2017-10-26
Release date:2017-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
6B8O
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BU of 6b8o by Molmil
WT Ig-like V Domain with Phosphatidylserine
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sudom, A, Wang, Z.
Deposit date:2017-10-09
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
4LH9
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BU of 4lh9 by Molmil
Crystal structure of the refolded hood domain (Asp256-Gly295) of HetR
Descriptor: Heterocyst differentiation control protein
Authors:Hu, H.X, Jiang, Y.L, Zhao, M.X, Chen, Y, Zhou, C.Z.
Deposit date:2013-07-01
Release date:2013-07-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Structural and biochemical analyses of Anabaena HetR reveal insights into the cyanobacterial heterocyst development and pattern formation
To be Published

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数据于2024-10-16公开中

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