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6BAG
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BU of 6bag by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAZ
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BU of 6baz by Molmil
Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BB0
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BU of 6bb0 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
6BAD
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BU of 6bad by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-3-((2-chlorophenyl)thio)-6-(3-((4-fluorophenyl)amino)phenyl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-12
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
6BAX
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BU of 6bax by Molmil
Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
Descriptor: (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
7WY5
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BU of 7wy5 by Molmil
ADGRL3/Gq 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, Isoform 3 of Adhesion G protein-coupled receptor L3, ...
Authors:He, Y, Qian, Y.
Deposit date:2022-02-15
Release date:2022-10-26
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling.
Mol.Cell, 82, 2022
7WY8
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BU of 7wy8 by Molmil
ADGRL3/Gs 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, Isoform 3 of Adhesion G protein-coupled receptor L3, ...
Authors:He, Y, Qian, Y.
Deposit date:2022-02-15
Release date:2022-10-26
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling
Mol.Cell, 82, 2022
7WYB
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BU of 7wyb by Molmil
ADGRL3/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-1, ...
Authors:He, Y, Qian, Y.
Deposit date:2022-02-15
Release date:2022-10-26
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling.
Mol.Cell, 82, 2022
6IE3
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BU of 6ie3 by Molmil
Crystal structure of methyladenine demethylase
Descriptor: ETHANOL, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X.
Deposit date:2018-09-13
Release date:2019-09-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-11-15
Release date:2024-01-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
7WL2
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BU of 7wl2 by Molmil
Mouse Pendrin in bicarbonate and iodide buffer in inward state
Descriptor: Pendrin
Authors:Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2022-01-12
Release date:2023-04-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WLE
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BU of 7wle by Molmil
Mouse Pendrin in chloride and bicarbonate buffer in outward state
Descriptor: Pendrin
Authors:Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2022-01-13
Release date:2023-04-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WL9
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BU of 7wl9 by Molmil
Mouse Pendrin in chloride and bicarbonate in asymmetric state
Descriptor: CHLORIDE ION, Pendrin
Authors:Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2022-01-12
Release date:2023-04-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WK1
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BU of 7wk1 by Molmil
Mouse Pendrin bound chloride in inward state
Descriptor: CHLORIDE ION, Pendrin
Authors:Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2022-01-08
Release date:2023-04-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WLA
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BU of 7wla by Molmil
Mouse Pendrin in bicarbonate and iodide buffer in asymmetric state
Descriptor: Pendrin
Authors:Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2022-01-12
Release date:2023-04-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WL7
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BU of 7wl7 by Molmil
Mouse Pendrin in chloride and bicarbonate buffer in inward state
Descriptor: Pendrin
Authors:Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2022-01-12
Release date:2023-04-12
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
7WHK
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BU of 7whk by Molmil
The state 3 complex structure of Omicron spike with Bn03 (2-up RBD, 5 nanobodies)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2021-12-30
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
7WHI
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BU of 7whi by Molmil
The state 2 complex structure of Omicron spike with Bn03 (2-up RBD, 4 nanobodies)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2021-12-30
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
7WHJ
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BU of 7whj by Molmil
The state 1 complex structure of Omicron spike with Bn03 (1-up RBD, 3 nanobodies)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2021-12-30
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
1RYG
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BU of 1ryg by Molmil
Three dimensional solution structure of the R29A MUTANT of sodium channels inhibitor HAINANTOXIN-IV by 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
8XNG
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BU of 8xng by Molmil
Cryo-EM structure of OSCA1.2-liposome-inside-out closed state
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Zhang, Y, Han, Y.
Deposit date:2023-12-29
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024
8XVZ
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BU of 8xvz by Molmil
Cryo-EM structure of OSCA3.1-2E(R611E-R619E)-closed/'desensitized' state
Descriptor: CSC1-like protein ERD4
Authors:Zhang, Y, Han, Y.
Deposit date:2024-01-15
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024
8XS0
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BU of 8xs0 by Molmil
Cryo-EM structure of OSCA3.1-1.1ver(Y367N-G454S-Y458I)-open/'desensitized' state
Descriptor: CSC1-like protein ERD4
Authors:Zhang, Y, Han, Y.
Deposit date:2024-01-08
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024
8XVY
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BU of 8xvy by Molmil
Cryo-EM structure of OSCA3.1-2E(R611E-R619E)-closed/open state
Descriptor: CSC1-like protein ERD4
Authors:Zhang, Y, Han, Y.
Deposit date:2024-01-15
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024

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数据于2024-09-11公开中

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