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7C1U
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BU of 7c1u by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1P
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BU of 7c1p by Molmil
Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
6BCL
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BU of 6bcl by Molmil
cryo-EM structure of TRPM4 in apo state with long coiled coil at 3.5 angstrom resolution
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y.
Deposit date:2017-10-20
Release date:2017-12-13
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
6BCJ
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BU of 6bcj by Molmil
cryo-EM structure of TRPM4 in apo state with short coiled coil at 3.1 angstrom resolution
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y.
Deposit date:2017-10-20
Release date:2017-12-13
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
6BCQ
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BU of 6bcq by Molmil
cryo-EM structure of TRPM4 in ATP bound state with long coiled coil at 3.3 angstrom resolution
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4
Authors:Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y.
Deposit date:2017-10-20
Release date:2017-12-13
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
6BCO
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BU of 6bco by Molmil
cryo-EM structure of TRPM4 in ATP bound state with short coiled coil at 2.9 angstrom resolution
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily M member 4
Authors:Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y.
Deposit date:2017-10-20
Release date:2017-12-13
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
6C9A
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BU of 6c9a by Molmil
Cryo-EM structure of mouse TPC1 channel in the PtdIns(3,5)P2-bound state
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y.
Deposit date:2018-01-25
Release date:2018-04-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel.
Nature, 556, 2018
6C96
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BU of 6c96 by Molmil
Cryo-EM structure of mouse TPC1 channel in the apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:She, J, Guo, J, Chen, Q, Bai, X, Jiang, Y.
Deposit date:2018-01-25
Release date:2018-04-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the voltage and phospholipid activation of the mammalian TPC1 channel.
Nature, 556, 2018
5WPQ
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BU of 5wpq by Molmil
Cryo-EM structure of mammalian endolysosomal TRPML1 channel in nanodiscs in closed I conformation at 3.64 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
Authors:Chen, Q, She, J, Guo, J, Bai, X, Jiang, Y.
Deposit date:2017-08-07
Release date:2017-10-18
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structure of mammalian endolysosomal TRPML1 channel in nanodiscs.
Nature, 550, 2017
5WPV
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BU of 5wpv by Molmil
Cryo-EM structure of mammalian endolysosomal TRPML1 channel in nanodiscs at 3.59 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
Authors:Chen, Q, She, J, Guo, J, Bai, X, Jiang, Y.
Deposit date:2017-08-07
Release date:2017-10-18
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure of mammalian endolysosomal TRPML1 channel in nanodiscs.
Nature, 550, 2017
6O58
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BU of 6o58 by Molmil
Human MCU-EMRE complex, dimer of channel
Descriptor: CALCIUM ION, Calcium uniporter protein, mitochondrial, ...
Authors:Wang, Y, Bai, X, Jiang, Y.
Deposit date:2019-03-01
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural Mechanism of EMRE-Dependent Gating of the Human Mitochondrial Calcium Uniporter.
Cell, 177, 2019
8D3Y
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BU of 8d3y by Molmil
Human alpha3 Na+/K+-ATPase in its exoplasmic side-open state
Descriptor: FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3X
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BU of 8d3x by Molmil
Human alpha3 Na+/K+-ATPase in its K+-occluded state
Descriptor: FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1, ...
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3U
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BU of 8d3u by Molmil
Human alpha3 Na+/K+-ATPase in its Na+-occluded state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, ...
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3W
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BU of 8d3w by Molmil
Human alpha3 Na+/K+-ATPase in its AMPPCP-bound cytoplasmic side-open state
Descriptor: FXYD domain-containing ion transport regulator 6, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sodium/potassium-transporting ATPase subunit alpha-3, ...
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
8D3V
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BU of 8d3v by Molmil
Human alpha3 Na+/K+-ATPase in its cytoplasmic side-open state
Descriptor: FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1
Authors:Nguyen, P.T, Bai, X.
Deposit date:2022-06-01
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
7SZQ
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BU of 7szq by Molmil
Human P300 complexed with an azaindazole inhibitor
Descriptor: 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide, Histone acetyltransferase p300
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-29
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
7SSK
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BU of 7ssk by Molmil
Human P300 complexed with a glycine-based inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ...
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
7SS8
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BU of 7ss8 by Molmil
Human P300 complexed with a proline-based inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ...
Authors:Shewchuk, L.M, Reid, R.A.
Deposit date:2021-11-10
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
6KKT
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BU of 6kkt by Molmil
human KCC1 structure determined in KCl and lipid nanodisc
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2020-08-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KKR
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BU of 6kkr by Molmil
human KCC1 structure determined in KCl and detergent GDN
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2020-08-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
6KKU
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BU of 6kku by Molmil
human KCC1 structure determined in NaCl and GDN
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Descriptor: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH4
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BU of 5kh4 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) with FARNESYL DIPHOSPHATE
Descriptor: FARNESYL DIPHOSPHATE, Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH2
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BU of 5kh2 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)
Descriptor: Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016

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