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6PMI
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BU of 6pmi by Molmil
Sigm28-transcription initiation complex with specific promoter at the state 1
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Liu, B, Shi, W.
Deposit date:2019-07-02
Release date:2020-05-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
3LDC
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BU of 3ldc by Molmil
High resolution open MthK pore structure crystallized in 100 mM K+
Descriptor: Calcium-gated potassium channel mthK, POTASSIUM ION
Authors:Ye, S.
Deposit date:2010-01-12
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel insights into K(+) selectivity from high-resolution structures of an open K(+) channel pore.
Nat.Struct.Mol.Biol., 17, 2010
3LDE
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BU of 3lde by Molmil
High resolution open MthK pore structure crystallized in 100 mM K+ and further soaked in 100 mM Na+.
Descriptor: Calcium-gated potassium channel mthK, SODIUM ION
Authors:Ye, S.
Deposit date:2010-01-12
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Novel insights into K(+) selectivity from high-resolution structures of an open K(+) channel pore.
Nat.Struct.Mol.Biol., 17, 2010
3LDD
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BU of 3ldd by Molmil
High resolution open MthK pore structure crystallized in 100 mM K+ and further soaked in 99 mM Na+/1 mM K+.
Descriptor: Calcium-gated potassium channel mthK, POTASSIUM ION
Authors:Ye, S.
Deposit date:2010-01-12
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel insights into K(+) selectivity from high-resolution structures of an open K(+) channel pore.
Nat.Struct.Mol.Biol., 17, 2010
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
Descriptor: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP2
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BU of 7yp2 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
Descriptor: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
Descriptor: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
Authors:Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
Deposit date:2022-08-02
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
3PJZ
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BU of 3pjz by Molmil
Crystal Structure of the Potassium Transporter TrkH from Vibrio parahaemolyticus
Descriptor: POTASSIUM ION, Potassium uptake protein TrkH
Authors:Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-11-10
Release date:2011-01-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.506 Å)
Cite:Crystal structure of a potassium ion transporter, TrkH.
Nature, 471, 2011
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
Descriptor: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Joseph, S, Rodenberger, A.
Deposit date:2020-05-04
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
7R75
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BU of 7r75 by Molmil
Structure of human SHP2 in complex with compound 16
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7D
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BU of 7r7d by Molmil
Structure of human SHP2 in complex with compound 22
Descriptor: 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7L
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BU of 7r7l by Molmil
Structure of human SHP2 in complex with compound 30
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
7R7I
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BU of 7r7i by Molmil
Structure of human SHP2 in complex with compound 27
Descriptor: Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
Authors:Leonard, P.G, Cross, J.
Deposit date:2021-06-24
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor.
J.Med.Chem., 64, 2021
6VN7
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BU of 6vn7 by Molmil
Cryo-EM structure of an activated VIP1 receptor-G protein complex
Descriptor: CHOLESTEROL, 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:Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J.
Deposit date:2020-01-29
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy.
Nat Commun, 11, 2020
7YV4
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BU of 7yv4 by Molmil
Crystal structure of human UCHL3 in complex with Farrerol
Descriptor: (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Ubiquitin carboxyl-terminal hydrolase isozyme L3
Authors:Mao, Z.Y, Xu, X.J, Zhang, W.T.
Deposit date:2022-08-18
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Farrerol directly activates the deubiqutinase UCHL3 to promote DNA repair and reprogramming when mediated by somatic cell nuclear transfer.
Nat Commun, 14, 2023
8FY5
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BU of 8fy5 by Molmil
Human TMEM175-LAMP1 full-length complex
Descriptor: Endosomal/lysosomal potassium channel TMEM175, Lysosome-associated membrane glycoprotein 1
Authors:Zhang, J.Y, Zeng, W.Z, Han, Y, Jiang, Y.X.
Deposit date:2023-01-25
Release date:2023-06-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Lysosomal LAMP proteins regulate lysosomal pH by direct inhibition of the TMEM175 channel.
Mol.Cell, 83, 2023
8FYF
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BU of 8fyf by Molmil
Human TMEM175-LAMP1 transmembrane domain only complex
Descriptor: Endosomal/lysosomal potassium channel TMEM175, Lysosome-associated membrane glycoprotein 1
Authors:Zhang, J.Y, Zeng, W.Z, Han, Y, Jiang, Y.X.
Deposit date:2023-01-26
Release date:2023-06-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Lysosomal LAMP proteins regulate lysosomal pH by direct inhibition of the TMEM175 channel.
Mol.Cell, 83, 2023
5KDT
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BU of 5kdt by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE0723
Descriptor: (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-06-08
Release date:2016-07-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
6D80
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BU of 6d80 by Molmil
Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri bound to saposin
Descriptor: CALCIUM ION, Mitochondrial calcium uniporter, Saposin A
Authors:Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C.
Deposit date:2018-04-25
Release date:2018-07-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
6D7W
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BU of 6d7w by Molmil
Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri at 3.8 Angstrom resolution
Descriptor: CALCIUM ION, Mitochondrial calcium uniporter
Authors:Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C.
Deposit date:2018-04-25
Release date:2018-07-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of a fungal mitochondrial calcium uniporter.
Nature, 559, 2018
5JD0
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BU of 5jd0 by Molmil
crystal structure of ARAP3 RhoGAP domain
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
Authors:Bao, H, Li, F, Wu, J, Shi, Y.
Deposit date:2016-04-15
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3
J.Biol.Chem., 291, 2016
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
5JHP
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BU of 5jhp by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L179A and I195A mutant in complex with rice D53 repressor EAR peptide motif
Descriptor: Protein TPR1, The rice D53 EAR peptide (794-808)
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-04-21
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
5JGC
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BU of 5jgc by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A, L130A, L179A and I195A mutant
Descriptor: Protein TPR1, ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-04-20
Release date:2017-07-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex.
Sci Adv, 3, 2017

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