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8EPM
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BU of 8epm by Molmil
Human R-type voltage-gated calcium channel Cav2.3 CH2II-deleted mutant at 3.1 Angstrom resolution
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2022-10-06
Release date:2022-12-14
Last modified:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the R-type human Ca v 2.3 channel reveal conformational crosstalk of the intracellular segments.
Nat Commun, 13, 2022
7U8P
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BU of 7u8p by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8R
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BU of 7u8r by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8Q
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BU of 7u8q by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8O
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BU of 7u8o by Molmil
Structure of porcine V-ATPase with mEAK7 and SidK, Rotary state 2
Descriptor: ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, Bacterial effector protein SidK, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7RPV
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BU of 7rpv by Molmil
Crystal structure of affinity-enhancing and catalytically inactive ACE2 in complex with SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Chen, Y, Tolbert, D.W, Pazgier, M.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Engineered ACE2-Fc counters murine lethal SARS-CoV-2 infection through direct neutralization and Fc-effector activities.
Biorxiv, 2021
7SHF
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BU of 7shf by Molmil
Cryo-EM structure of GPR158 coupled to the RGS7-Gbeta5 complex
Descriptor: (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ...
Authors:Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A.
Deposit date:2021-10-08
Release date:2021-12-01
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
7SHE
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BU of 7she by Molmil
Cryo-EM structure of human GPR158
Descriptor: (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ...
Authors:Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A.
Deposit date:2021-10-08
Release date:2021-12-01
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
6OQV
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BU of 6oqv by Molmil
E. coli ATP Synthase State 2b
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQR
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BU of 6oqr by Molmil
E. coli ATP Synthase ADP State 1a
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Walshe, J.L, Sobti, M.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQU
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BU of 6oqu by Molmil
E. coli ATP synthase State 1d
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQS
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BU of 6oqs by Molmil
E. coli ATP synthase State 1b
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQW
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BU of 6oqw by Molmil
E. coli ATP synthase State 3a
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQT
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BU of 6oqt by Molmil
E. coli ATP synthase State 1c
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6PQV
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BU of 6pqv by Molmil
E. coli ATP Synthase State 1e
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-07-10
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
7CCH
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BU of 7cch by Molmil
Acinetobacter baumannii histidine kinase AdeS
Descriptor: AdeS
Authors:Wen, Y, Felix, J.
Deposit date:2020-06-17
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS.
Iscience, 24, 2021
7CCI
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BU of 7cci by Molmil
Acinetobacter baumannii response regulator AdeR with disordered N terminus
Descriptor: AdeR, MAGNESIUM ION
Authors:Wen, Y.
Deposit date:2020-06-17
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS.
Iscience, 24, 2021
1FSH
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BU of 1fsh by Molmil
STRUCTURAL BASIS OF THE RECOGNITION OF THE DISHEVELLED DEP DOMAIN IN THE WNT SIGNALING PATHWAY
Descriptor: DISHEVELLED-1
Authors:Wong, H.C, Zheng, J.
Deposit date:2000-09-08
Release date:2001-03-08
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structural basis of the recognition of the dishevelled DEP domain in the Wnt signaling pathway.
Nat.Struct.Biol., 7, 2000
3N52
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BU of 3n52 by Molmil
crystal Structure analysis of MIP2
Descriptor: C-X-C motif chemokine 2
Authors:Rajasekaran, D.
Deposit date:2010-05-24
Release date:2011-06-08
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Model of GAG/MIP-2/CXCR2 Interfaces and Its Functional Effects.
Biochemistry, 51, 2012
7Y90
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BU of 7y90 by Molmil
Crystal Structure Analysis of cp1 bound BCL2
Descriptor: (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide
Authors:Li, F.W.
Deposit date:2022-06-24
Release date:2023-11-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
5K76
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BU of 5k76 by Molmil
IRAK4 in complex with Compound 28
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Authors:Ferguson, A.D.
Deposit date:2016-05-25
Release date:2017-12-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
5K7I
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BU of 5k7i by Molmil
IRAK4 in complex with AZ3864
Descriptor: (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Ferguson, A.D.
Deposit date:2016-05-26
Release date:2017-12-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
5K75
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BU of 5k75 by Molmil
IRAK4 in complex with Compound 1
Descriptor: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine
Authors:Ferguson, A.D.
Deposit date:2016-05-25
Release date:2017-12-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Song, M, Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018

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