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7RCK
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BU of 7rck by Molmil
Crystal Structure of PMS2 with Substrate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mismatch repair endonuclease PMS2
Authors:D'Arcy, B.M, Prakash, A.
Deposit date:2021-07-07
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
7RCI
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BU of 7rci by Molmil
Crystal Structure of a PMS2 VUS with Substrate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mismatch repair endonuclease PMS2
Authors:D'Arcy, B.M, Prakash, A.
Deposit date:2021-07-07
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
6XS9
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BU of 6xs9 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L1
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 48V-TYR-ILE-LYS-THR-PRO-LEU-GLY-THR-PHE-PRO-ASN-ARG-HIS-GLY, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS7
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BU of 6xs7 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2
Descriptor: 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XSA
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BU of 6xsa by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L2
Descriptor: 48V-TYR-LEU-PRO-THR-ILE-THR-GLY-VAL-GLY-HIS-LEU-TRP-HIS-PRO-LEU, SULFATE ION, Vacuolar protein sorting-associated protein 29
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS5
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BU of 6xs5 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1
Descriptor: 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ...
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6XS8
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BU of 6xs8 by Molmil
Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3
Descriptor: 48V-DTY-GLY-TYR-ASP-PRO-LEU-GLY-LEU-LYS-TYR-PHE-ALA, Vacuolar protein sorting-associated protein 29
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2020-07-15
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95009851 Å)
Cite:De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
7R5O
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BU of 7r5o by Molmil
1.58 A STRUCTURE OF HUMAN APOFERRITIN OBTAINED FROM TITAN KRIOS 2 AT eBIC, DLS UNDER COMMISSIONING SESSION CM26464-2
Descriptor: Ferritin heavy chain, N-terminally processed, SODIUM ION
Authors:Clare, D.K.
Deposit date:2022-02-11
Release date:2022-06-22
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (1.6 Å)
Cite:Application of super-resolution and correlative double sampling in cryo-electron microscopy.
Faraday Disc.Chem.Soc, 240, 2022
8EC6
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BU of 8ec6 by Molmil
Cryo-EM structure of the Glutaminase C core filament (fGAC)
Descriptor: Isoform 2 of Glutaminase kidney isoform, mitochondrial, PHOSPHATE ION
Authors:Ambrosio, A.L, Dias, S.M, Quesnay, J.E, Portugal, R.V, Cassago, A, van Heel, M.G, Islam, Z, Rodrigues, C.T.
Deposit date:2022-09-01
Release date:2023-09-20
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of glutaminase activation through filamentation and the role of filaments in mitophagy protection.
Nat.Struct.Mol.Biol., 30, 2023
6UK1
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BU of 6uk1 by Molmil
Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Vorobiev, S.M, Vernon, R.M, Khazanov, N, Senderowitz, H, Forman-Kay, J.D, Hunt, J.F.
Deposit date:2019-10-03
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:A thermodynamically stabilized form of the second nucleotide binding domain from human CFTR shows a catalytically inactive conformation
To Be Published
4JPW
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BU of 4jpw by Molmil
Crystal structure of broadly and potently neutralizing antibody 12a21 in complex with hiv-1 strain 93th057 gp120 mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY 12A21, ...
Authors:Acharya, P, Luongo, T, Zhou, T, Kwong, P.D.
Deposit date:2013-03-19
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Somatic mutations of the immunoglobulin framework are generally required for broad and potent HIV-1 neutralization.
Cell(Cambridge,Mass.), 153, 2013
7U5V
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BU of 7u5v by Molmil
Crystal structure of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and Borealin peptide
Descriptor: Borealin, Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:An, S, Cho, U.S, Oh, H, Sha, L, Xu, J, Kim, S, Yang, W, An, W, Dou, Y.
Deposit date:2022-03-02
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Non-canonical MLL1 activity regulates centromeric phase separation and genome stability.
Nat.Cell Biol., 25, 2023
5BPY
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BU of 5bpy by Molmil
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
Descriptor: 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2015-05-28
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Bioorg.Med.Chem.Lett., 25, 2015
5BQ0
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BU of 5bq0 by Molmil
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Muckelbauer, J.K.
Deposit date:2015-05-28
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Bioorg.Med.Chem.Lett., 25, 2015
6KZQ
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BU of 6kzq by Molmil
structure of PTP-MEG2 and NSF-pY83 peptide complex
Descriptor: NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
Deposit date:2019-09-25
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
6L03
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BU of 6l03 by Molmil
structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex
Descriptor: Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide
Authors:Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
Deposit date:2019-09-25
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
5D4K
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BU of 5d4k by Molmil
Crystal structure of the human polymeric Ig receptor (pIgR) ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Polymeric immunoglobulin receptor, SULFATE ION, ...
Authors:Stadtmueller, B.M, Bjorkman, P.J.
Deposit date:2015-08-07
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:The structure and dynamics of secretory component and its interactions with polymeric immunoglobulins.
Elife, 5, 2016
5DAH
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BU of 5dah by Molmil
Crystal structure of PZP domain of human AF10 protein fused with Histone H3 peptide
Descriptor: Histone H3 peptide, Protein AF-10, SULFATE ION, ...
Authors:Chen, S, Patel, D.J.
Deposit date:2015-08-19
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:The PZP Domain of AF10 Senses Unmodified H3K27 to Regulate DOT1L-Mediated Methylation of H3K79.
Mol.Cell, 60, 2015
5DAG
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BU of 5dag by Molmil
Crystal structure of PZP domain of human AF10 protein
Descriptor: Protein AF-10, ZINC ION
Authors:Chen, S, Patel, D.J.
Deposit date:2015-08-19
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The PZP Domain of AF10 Senses Unmodified H3K27 to Regulate DOT1L-Mediated Methylation of H3K79.
Mol.Cell, 60, 2015
8XZG
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BU of 8xzg by Molmil
Cryo-EM structure of the [Pyr1]-apelin-13-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Apelin-13, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
6AGL
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BU of 6agl by Molmil
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
Descriptor: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive
Authors:Cui, D, Qi, J, Wen, T.
Deposit date:2018-08-13
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
8WVB
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BU of 8wvb by Molmil
Crystal structure of Lsd18 mutant S195M
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative epoxidase LasC
Authors:Liu, N, Xiao, H.L, Chen, X.
Deposit date:2023-10-23
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Simultaneous Improvement in the Thermostability and Catalytic Activity of Epoxidase Lsd18 for the Synthesis of Lasalocid A.
Int J Mol Sci, 24, 2023
8WVF
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BU of 8wvf by Molmil
Crystal structure of Lsd18 mutant T189M and S195M
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative epoxidase LasC
Authors:Liu, N, Xiao, H.L, Chen, X.
Deposit date:2023-10-23
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.757 Å)
Cite:Simultaneous Improvement in the Thermostability and Catalytic Activity of Epoxidase Lsd18 for the Synthesis of Lasalocid A.
Int J Mol Sci, 24, 2023
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
Descriptor: Apelin receptor, 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, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
Descriptor: Apelin receptor, 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, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024

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