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7TH7
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Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B23
分子名称: 3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)propanoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-10
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
7U4T
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Human V-ATPase in state 2 with SidK and mEAK-7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MTOR-associated protein MEAK7, ...
著者Wang, L, Fu, T.M.
登録日2022-03-01
公開日2022-08-24
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Identification of mEAK-7 as a human V-ATPase regulator via cryo-EM data mining.
Proc.Natl.Acad.Sci.USA, 119, 2022
7THD
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Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B52
分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, [(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid
著者Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-10
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
7TGU
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Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1
分子名称: (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
7THC
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Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B25
分子名称: 3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)prop-2-ynoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-10
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
7TGT
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Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor A26
分子名称: (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R.
登録日2022-01-09
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Discovery and molecular basis of subtype-selective cyclophilin inhibitors.
Nat.Chem.Biol., 18, 2022
4A83
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Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with deoxycholate.
分子名称: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ...
著者Kofler, S, Brandstetter, H.
登録日2011-11-18
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
7EJS
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Structure of ERH-2 bound to PICS-1
分子名称: Enhancer of rudimentary homolog 2,Protein pid-3
著者Wang, X, Xu, C.
登録日2021-04-02
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.387 Å)
主引用文献Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
8EOI
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Structure of a human EMC:human Cav1.2 channel complex in GDN detergent
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L.
登録日2022-10-03
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献EMC chaperone-Ca V structure reveals an ion channel assembly intermediate.
Nature, 619, 2023
4DOH
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IL20/IL201/IL20R2 Ternary Complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-20, Interleukin-20 receptor subunit alpha, ...
著者Logsdon, N.J, Walter, M.R.
登録日2012-02-09
公開日2012-07-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for receptor sharing and activation by interleukin-20 receptor-2 (IL-20R2) binding cytokines.
Proc.Natl.Acad.Sci.USA, 109, 2012
8EOG
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Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with L-leucine
分子名称: (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate, (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L.
登録日2022-10-03
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献EMC chaperone-Ca V structure reveals an ion channel assembly intermediate.
Nature, 619, 2023
2QB4
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Crystal Structure Analysis of LeuT complexed with L-leucine, sodium and desipramine
分子名称: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ...
著者Singh, S.K, Yamashita, A, Gouaux, E.
登録日2007-06-15
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
1RKS
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E. COLI RIBOKINASE IN COMPLEX WITH D-RIBOSE
分子名称: PHOSPHATE ION, PROTEIN (RIBOKINASE), alpha-D-ribofuranose
著者Sigrell, J.A, Cameron, A.D, Mowbray, S.L.
登録日1999-05-17
公開日1999-08-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Induced fit on sugar binding activates ribokinase.
J.Mol.Biol., 290, 1999
2F1N
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Structure of CdtB, the biologically active subunit of Cytolethal Distending Toxin
分子名称: Cytolethal distending toxin subunit B
著者Hontz, J.S, Yoder, M.D, Dreyfus, L.A.
登録日2005-11-14
公開日2006-07-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Differences in Crystal and Solution Structures of the Cytolethal Distending Toxin B Subunit: RELEVANCE TO NUCLEAR TRANSLOCATION AND FUNCTIONAL ACTIVATION.
J.Biol.Chem., 281, 2006
7BIW
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
分子名称: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-13
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BJB
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
分子名称: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
1XSM
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PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE FROM MOUSE
分子名称: FE (III) ION, RIBONUCLEOTIDE REDUCTASE R2
著者Kauppi, B, Nielsen, B.N, Ramaswamy, S, Kjoller-Larsen, I, Thelander, M, Thelander, L, Eklund, H.
登録日1996-07-03
公開日1997-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The three-dimensional structure of mammalian ribonucleotide reductase protein R2 reveals a more-accessible iron-radical site than Escherichia coli R2.
J.Mol.Biol., 262, 1996
8W6O
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NaS1 in IN/IN state
分子名称: CHOLESTEROL, SODIUM ION, Solute carrier family 13 member 1
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-29
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6H
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NaS1 with sulfate - IN/IN state
分子名称: CHOLESTEROL, SODIUM ION, SULFATE ION, ...
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-28
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6T
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NaS1 in IN/OUT state
分子名称: Solute carrier family 13 member 1
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-29
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
8W6N
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NaS1 with sulfate in IN/OUT state
分子名称: SODIUM ION, SULFATE ION, Solute carrier family 13 member 1
著者Chi, X, Chen, Y, Li, Y, Zhang, Y, Shen, Y, Chen, Y, Wang, Z, Yan, R.
登録日2023-08-29
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of the human NaS1 and NaDC1 transporters revealed the elevator transport and allosteric regulation mechanism.
Sci Adv, 10, 2024
6KDU
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Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis
分子名称: ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ...
著者Ramachandran, R, Shukla, A, Afsar, M.
登録日2019-07-02
公開日2020-07-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity.
Acta Crystallogr D Struct Biol, 77, 2021
8FHD
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Cryo-EM structure of human voltage-gated sodium channel Nav1.6
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, (5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Fan, X, Huang, J, Yan, N.
登録日2022-12-14
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of human voltage-gated sodium channel Na v 1.6.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FNE
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phiPA3 PhuN Tetramer, p2
分子名称: Maltose/maltodextrin-binding periplasmic protein, PhuN
著者Nieweglowska, E.S, Brilot, A.F, Mendez-Moran, M, Kokontis, C, Baek, M, Li, J, Cheng, Y, Baker, D, Bondy-Denomy, J, Agard, D.A.
登録日2022-12-27
公開日2023-03-01
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The phi PA3 phage nucleus is enclosed by a self-assembling 2D crystalline lattice.
Nat Commun, 14, 2023
7VYT
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Crystal structure of human TIGIT(23-129) in complex with the scFv fragment of anti-TIGIT antibody MG1131
分子名称: CITRATE ANION, MG1131 heavy chain variable region, MG1131 light chain variable region, ...
著者Jeong, B.-S, Nam, H, Kim, M, Oh, B.-H.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural and functional characterization of a monoclonal antibody blocking TIGIT.
Mabs, 14, 2022

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