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6JUH
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BU of 6juh by Molmil
structure of CavAb in complex with efonidipine
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-[phenyl-(phenylmethyl)amino]ethyl (4~{R})-5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate, ...
Authors:Tang, L, Xu, F.
Deposit date:2019-04-13
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for efonidipine block of a voltage-gated Ca2+channel.
Biochem.Biophys.Res.Commun., 513, 2019
6K11
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BU of 6k11 by Molmil
Crystal structure of MvcA from Legionella pneumophila
Descriptor: Lpg2148(MvcA)
Authors:Ouyang, S, Guan, H.
Deposit date:2019-05-09
Release date:2019-12-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Legionella pneumophila regulates the activity of UBE2N by deamidase-mediated deubiquitination.
Embo J., 39, 2020
7JW8
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BU of 7jw8 by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Authors:Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
Deposit date:2020-08-25
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7JSU
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BU of 7jsu by Molmil
Crystal structure of SARS-CoV-2 3CL protease in complex with GC376
Descriptor: 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, PHOSPHATE ION
Authors:Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
Deposit date:2020-08-16
Release date:2021-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXE
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BU of 7kxe by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
7L4V
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BU of 7l4v by Molmil
C-terminal bZIP domain of human C/EBPbeta Bound to DNA with Consensus Recognition with GT Mismatch
Descriptor: 1,2-ETHANEDIOL, CCAAT/enhancer-binding protein beta, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-12-21
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Preferential CEBP binding to T:G mismatches and increased C-to-T human somatic mutations.
Nucleic Acids Res., 49, 2021
7UKL
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BU of 7ukl by Molmil
Cryo-EM structure of Antibody 12-16 in complex with prefusion SARS-CoV-2 Spike glycoprotein
Descriptor: 12-16 Fab Heavy Chain, 12-16 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Shapiro, L.
Deposit date:2022-04-01
Release date:2023-10-04
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Antibodies targeting a quaternary site on SARS-CoV-2 spike glycoprotein prevent viral receptor engagement by conformational locking.
Immunity, 56, 2023
7VP9
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BU of 7vp9 by Molmil
Crystal structure of human ClpP in complex with ZG111
Descriptor: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
Authors:Wang, P.Y, Gan, J.H, Yang, C.-G.
Deposit date:2021-10-15
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
7V8M
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BU of 7v8m by Molmil
LolCDE-apo in nanodiscs
Descriptor: Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, Lipoprotein-releasing system transmembrane protein LolE
Authors:Luo, Q.S, Bei, W.W, Shi, H.G, Zhang, X.Z, Huang, Y.H.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
7XNL
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BU of 7xnl by Molmil
human KCNQ1-CaM-ML277-PIP2 complex in state A
Descriptor: (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ...
Authors:Ma, D, Guo, J.
Deposit date:2022-04-29
Release date:2022-12-14
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XNK
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BU of 7xnk by Molmil
human KCNQ1-CaM in complex with ML277
Descriptor: (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ...
Authors:Ma, D, Guo, J.
Deposit date:2022-04-29
Release date:2022-12-14
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XNN
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BU of 7xnn by Molmil
human KCNQ1-CaM-ML277-PIP2 complex in state B
Descriptor: (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ...
Authors:Ma, D, Guo, J.
Deposit date:2022-04-29
Release date:2022-12-14
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XNI
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BU of 7xni by Molmil
human KCNQ1-CaM in apo state
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 1
Authors:Ma, D, Guo, J.
Deposit date:2022-04-28
Release date:2022-12-14
Last modified:2023-02-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YFX
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BU of 7yfx by Molmil
Cryo-EM structure of Hili in complex with piRNA
Descriptor: MAGNESIUM ION, Piwi-like protein 2, piRNA
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-09
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YG6
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BU of 7yg6 by Molmil
Cryo-EM structure of the EfPiwi(N959K) in complex with piRNA
Descriptor: MAGNESIUM ION, Piwi, piRNA
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-11
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFY
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BU of 7yfy by Molmil
Cryo-EM structure of the Mili-piRNA- target ternary complex
Descriptor: MAGNESIUM ION, Piwi-like protein 2, RNA (5'-R(P*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-09
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YGN
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BU of 7ygn by Molmil
Cryo-EM structure of the Mili in complex with piRNA
Descriptor: MAGNESIUM ION, Piwi-like protein 2, piRNA
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-11
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7YFQ
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BU of 7yfq by Molmil
Cryo-EM structure of the EfPiwi (N959K)-piRNA-target ternary complex
Descriptor: MAGNESIUM ION, Piwi, RNA (5'-R(*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-08
Release date:2024-02-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
7DF8
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BU of 7df8 by Molmil
full length hNPC1L1-Apo
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, M, Sun, S, Sui, S.
Deposit date:2020-11-06
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake.
Sci Adv, 7, 2021
7DFW
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BU of 7dfw by Molmil
Cryo_EM structure of delta N-NPC1L1-CLR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, M, Sun, S.
Deposit date:2020-11-10
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake.
Sci Adv, 7, 2021
7DFZ
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BU of 7dfz by Molmil
Cryo_EM structure of delta N-NPC1L1-EZE
Descriptor: (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, M, Sun, S.
Deposit date:2020-11-10
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural insights into the mechanism of human NPC1L1-mediated cholesterol uptake.
Sci Adv, 7, 2021
7D3D
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BU of 7d3d by Molmil
Crystal structure of SPOP bound with a peptide
Descriptor: GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein
Authors:Yang, C.-G, Gan, J.H.
Deposit date:2020-09-18
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells.
Chin.J.Chem., 39, 2021
7VC8
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BU of 7vc8 by Molmil
Complex structure of AtHPPD with inhibitor PYQ3
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, pyren-1-yl 2-[1,5-dimethyl-2,4-bis(oxidanylidene)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazolin-3-yl]ethanoate
Authors:Yang, G.F, Lin, H.Y.
Deposit date:2021-09-01
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.606 Å)
Cite:Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress
Adv Agrochem, 2022

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