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7SH6
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BU of 7sh6 by Molmil
Crystal structure of a PET hydrolase mutant from Ideonella Sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Kim, W, Zhang, Y.
Deposit date:2021-10-08
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Machine learning-aided engineering of hydrolases for PET depolymerization.
Nature, 604, 2022
7RHH
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BU of 7rhh by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openI state
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHG
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BU of 7rhg by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in cAMP-bound state
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHJ
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BU of 7rhj by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-blocked open state
Descriptor: (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ...
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHL
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BU of 7rhl by Molmil
Cryo-EM structure of human rod Apo CNGA1/B1 channel with CLZ coiled coil
Descriptor: Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHI
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BU of 7rhi by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in cGMP-bound openII state
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, cGMP-gated cation channel alpha-1
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
7RHK
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BU of 7rhk by Molmil
Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-trapped closed state
Descriptor: (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ...
Authors:Xue, J, Han, Y, Jiang, Y.
Deposit date:2021-07-17
Release date:2021-11-03
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel.
Neuron, 110, 2022
8BWU
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BU of 8bwu by Molmil
Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION
Authors:Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M.
Deposit date:2022-12-07
Release date:2023-10-11
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
5XDZ
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BU of 5xdz by Molmil
Crystal structure of zebrafish SNX25 PX domain
Descriptor: CHLORIDE ION, Cellular trafficking protein, SODIUM ION
Authors:Su, K, Zhang, Y, Xu, J, Liu, J.
Deposit date:2017-03-30
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain
FEBS Lett., 591, 2017
7SQ7
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BU of 7sq7 by Molmil
Cryo-EM structure of mouse PI(3,5)P2-bound TRPML1 channel at 2.41 Angstrom resolution
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ8
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BU of 7sq8 by Molmil
Cryo-EM structure of mouse apo TRPML1 channel at 2.598 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.598 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ9
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BU of 7sq9 by Molmil
Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution
Descriptor: (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ6
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BU of 7sq6 by Molmil
Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
8ISS
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BU of 8iss by Molmil
Cryo-EM structure of wild-type human tRNA Splicing Endonuclease Complex bound to pre-tRNA-ARG at 3.19 A resolution
Descriptor: MAGNESIUM ION, RNA (88-MER), tRNA-splicing endonuclease subunit Sen15, ...
Authors:Sun, Y, Zhang, Y, Yuan, L, Han, Y.
Deposit date:2023-03-21
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Recognition and cleavage mechanism of intron-containing pre-tRNA by human TSEN endonuclease complex.
Nat Commun, 14, 2023
5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
Authors:Shen, L, Zhang, Y.
Deposit date:2016-05-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
8H3V
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BU of 8h3v by Molmil
Cryo-EM structure of the full transcription activation complex NtcA-NtcB-TAC
Descriptor: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
8H40
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BU of 8h40 by Molmil
Cryo-EM structure of the transcription activation complex NtcA-TAC
Descriptor: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
6IUG
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BU of 6iug by Molmil
Cryo-EM structure of the plant actin filaments from Zea mays pollen
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, pollen F-actin
Authors:Ren, Z.H, Zhang, Y, Zhang, Y, He, Y.Q, Du, P.Z, Wang, Z.X, Sun, F, Ren, H.Y.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM Structure of Actin Filaments fromZea maysPollen.
Plant Cell, 31, 2019
6L4R
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BU of 6l4r by Molmil
Crystal structure of Enterovirus D68 RdRp
Descriptor: RdRp
Authors:Wang, M.L, Li, L, Zhang, Y, Chen, Y.P, Su, D.
Deposit date:2019-10-21
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Structure of the enterovirus D68 RNA-dependent RNA polymerase in complex with NADPH implicates an inhibitor binding site in the RNA template tunnel.
J.Struct.Biol., 211, 2020
6IEX
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BU of 6iex by Molmil
Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL
Descriptor: Beta-2-microglobulin, GLY-GLU-THR-ALA-LEU-ALA-LEU-LEU-LEU-LEU, MHC class I antigen
Authors:Ji, W, Niu, L, Peng, W, Zhang, Y, Shi, Y, Qi, J, Gao, G.F, Liu, W.J.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Salt bridge-forming residues positioned over viral peptides presented by MHC class I impacts T-cell recognition in a binding-dependent manner.
Mol.Immunol., 112, 2019
3JSF
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BU of 3jsf by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution
Descriptor: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
4AOJ
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BU of 4aoj by Molmil
Human TrkA in complex with the inhibitor AZ-23
Descriptor: 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION
Authors:Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H.
Deposit date:2012-03-28
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
3JSG
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BU of 3jsg by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution
Descriptor: 7-(pyridin-3-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3JTU
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BU of 3jtu by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution
Descriptor: 7-(pyridin-2-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-14
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
6IVM
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BU of 6ivm by Molmil
Crystal structure of a membrane protein P143A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019

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數據於2024-09-18公開中

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