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5U0W
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E. coli dihydropteroate synthase complexed with 9-methylguanine
分子名称: 9-METHYLGUANINE, ACETIC ACID, Dihydropteroate synthase
著者Chhabra, S, Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2016-11-27
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
7P0I
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Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13
分子名称: (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
著者Southall, S.M.
登録日2021-06-29
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
5GVS
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Crystal structure of the DDX41 DEAD domain in an apo open form
分子名称: Probable ATP-dependent RNA helicase DDX41
著者Omura, H, Oikawa, D, Nakane, T, Kato, M, Ishii, R, Goto, Y, Suga, H, Ishitani, R, Tokunaga, F, Nureki, O.
登録日2016-09-06
公開日2016-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Functional Analysis of DDX41: a bispecific immune receptor for DNA and cyclic dinucleotide
Sci Rep, 6, 2016
8QF0
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Atomic structure of wormGDH
分子名称: Glutamate dehydrogenase
著者Mourao, A, Geerlof, A, Sattler, M.
登録日2023-09-01
公開日2024-09-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Atomic structure of wormGDH
To Be Published
7UYO
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Crystal structure of B-form alien DNA 5'-CTTSSPBZPSZBBAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase
分子名称: DNA (5'-D(*CP*TP*TP*(JSP)P*(JSP)P*(1WA)P*(IGU)P*(1W5))-3'), DNA (5'-D(P*(1WA)P*(JSP)P*(1W5)P*(IGU)P*(IGU)P*AP*AP*G)-3'), reverse transcriptase
著者Georgiadis, M.M.
登録日2022-05-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
7MGQ
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AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans
分子名称: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase, MAGNESIUM ION
著者Wizrah, M.S, Chua, S.M.H, Luo, Z, Manik, M.K, Pan, M, Whyte, J.M, Robertson, A.B, Kappler, U, Kobe, B, Fraser, J.A.
登録日2021-04-13
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans.
J.Biol.Chem., 298, 2022
7P0F
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Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125
分子名称: (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ...
著者Southall, S.M, Watson, S.P.
登録日2021-06-29
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.
Acs Chem Neurosci, 13, 2022
7UYN
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Crystal structure of B-form alien DNA 5'-CTTBPPBBSSZZSAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase
分子名称: DNA (5'-D(*CP*TP*TP*(IGU)P*(1WA)P*(1WA)P*(IGU)P*(IGU))-3'), DNA (5'-D(P*(JSP)P*(JSP)P*(1W5)P*(1W5)P*(JSP)P*AP*AP*G)-3'), reverse transcriptase
著者Georgiadis, M.M.
登録日2022-05-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
5TP3
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BU of 5tp3 by Molmil
Crystal structure of the RSV-neutralizing single-domain antibody F-VHH-4
分子名称: F-VHH-4
著者Wrapp, D, Gilman, M.S.A, McLellan, J.S.
登録日2016-10-19
公開日2017-02-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.874 Å)
主引用文献Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state.
Nat Commun, 8, 2017
7UYP
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BU of 7uyp by Molmil
Crystal structure of B-form alien DNA 5'-CTTZZPBSBSZPPAAG in a host-guest complex with the N-terminal fragment of Moloney murine leukemia virus reverse transcriptase
分子名称: DNA (5'-D(*CP*TP*TP*(1W5)P*(1W5)P*(1WA)P*(IGU)P*(JSP))-3'), DNA (5'-D(P*(IGU)P*(JSP)P*(1W5)P*(1WA)P*(1WA)P*AP*AP*G)-3'), reverse transcriptase
著者Georgiadis, M.M.
登録日2022-05-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of 'ALternative Isoinformational ENgineered' DNA in B-form.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
7OQG
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Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), BETA-MERCAPTOETHANOL, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7V1A
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BU of 7v1a by Molmil
Stapled TBS peptide from RIAM bound to talin R7R8 domains
分子名称: 1,2-ETHANEDIOL, ASP-ILE-ASP-GLN-MET-PHE-SER-THR-LEU-LEU-GLY-GLU-MK8-ASP-LEU-LEU-MK8-GLN-SER, Talin-1
著者Zhang, P, Gao, T, Wu, J.
登録日2022-05-11
公開日2023-06-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Inhibition of talin-induced integrin activation by a double-hit stapled peptide.
Structure, 31, 2023
8K9S
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BU of 8k9s by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
著者Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
登録日2023-08-01
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
7MHD
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BU of 7mhd by Molmil
Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
分子名称: Fatty acid synthase, N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
著者Aleshin, A.E, Lambert, L, Liddington, R.C, Cosford, N.
登録日2021-04-15
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Thioesterase Domain of Human Fatty Acid Synthase (FASN-TE) binding a competitive inhibitor SBP-7635
To Be Published
7OQJ
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BU of 7oqj by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7UXW
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BU of 7uxw by Molmil
Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wu, S, Gabelli, S.B, Sohn, J.
登録日2022-05-06
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
5U2H
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BU of 5u2h by Molmil
Crystal structure of the ATP-gated P2X7 ion channel bound to ATP and allosteric antagonist A804598
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Karasawa, A, Kawate, T.
登録日2016-11-30
公開日2017-01-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.903 Å)
主引用文献Structural basis for subtype-specific inhibition of the P2X7 receptor.
Elife, 5, 2016
7OQS
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BU of 7oqs by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177
分子名称: 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7XV1
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BU of 7xv1 by Molmil
Crystal structure of RPA70N-HelB fusion
分子名称: DNA helicase B, Replication protein A 70 kDa DNA-binding subunit
著者Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C.
登録日2022-05-20
公開日2023-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
5GXH
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BU of 5gxh by Molmil
The structure of the Gemin5 WD40 domain with AAUUUUUG
分子名称: GLYCEROL, Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*G)-3'), ...
著者Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-17
公開日2016-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
8JSV
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BU of 8jsv by Molmil
Dihydrofolate reductase-like enzyme from Leptospira interrogans (selenomethionine derivative)
分子名称: Dihydrofolate reductase family protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL, ...
著者Chandit, C, Wangkanont, K.
登録日2023-06-20
公開日2024-06-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Dihydrofolate reductase-like enzyme from Leptospira interrogans (selenomethionine derivative)
To Be Published
8UCX
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Dihydrofolate Reductase Complexed with Folate
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION
著者Fried, S.D.E, Boxer, S.G.
登録日2023-09-27
公開日2023-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
7UYQ
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Structure of GTP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination
分子名称: Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Wu, S, Gabelli, S.B, Sohn, J.
登録日2022-05-07
公開日2023-05-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
7OR3
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BU of 7or3 by Molmil
Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Centorrino, F, Wu, Q, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7XUT
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BU of 7xut by Molmil
Crystal structure of RPA70N-WRN fusion
分子名称: fusion protein of Replication protein A 70 kDa DNA-binding subunit and Werner syndrome ATP-dependent helicase
著者Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C.
登録日2022-05-19
公開日2023-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023

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件を2024-10-30に公開中

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