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Crystal structure of Se-Met Rtt107p (residues 820-1070)
分子名称:	Regulator of Ty1 transposition protein 107
著者	Li, X, Li, F, Wu, J, Shi, Y.
登録日	2011-07-30
公開日	2012-02-15
最終更新日	2017-11-08
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Structure of C-terminal Tandem BRCT Repeats of Rtt107 Protein Reveals Critical Role in Interaction with Phosphorylated Histone H2A during DNA Damage Repair J.Biol.Chem., 287, 2012

7Q1H

Variant D312N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the substrate OMP at 1.31 Angstrom resolution
分子名称:	OROTIDINE-5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ...
著者	Rabe von Pappenheim, F, Kirck, L.L.
登録日	2021-10-20
公開日	2022-05-04
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.31 Å)
主引用文献	Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022

6TKZ

Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42
分子名称:	Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL, ...
著者	Barford, D.
登録日	2019-11-29
公開日	2020-01-22
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.64 Å)
主引用文献	Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10 Biorxiv, 2022

6OEV

Structure of human Patched1 in complex with native Sonic Hedgehog
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, Protein patched homolog 1, ...
著者	Qi, X, Li, X.
登録日	2019-03-27
公開日	2019-04-17
最終更新日	2020-07-29
実験手法	ELECTRON MICROSCOPY (3.8 Å)
主引用文献	Structures of human Patched and its complex with native palmitoylated sonic hedgehog. Nature, 560, 2018

1F03

SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称:	CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者	Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日	2000-05-14
公開日	2000-06-21
最終更新日	2024-05-22
実験手法	SOLUTION NMR
主引用文献	Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c. Eur.J.Biochem., 268, 2001

6BAX

Lactate Dehydrogenase in complex with inhibitor 6-(3-aminophenyl)-3-((2-chlorophenyl)thio)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称:	(6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ...
著者	Ultsch, M, Eigenbrot, C.
登録日	2017-10-16
公開日	2018-10-24
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published

1F04

SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称:	CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者	Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日	2000-05-14
公開日	2000-06-21
最終更新日	2024-05-22
実験手法	SOLUTION NMR
主引用文献	Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c. Eur.J.Biochem., 268, 2001

3ER5

THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称:	ENDOTHIAPEPSIN, H-189
著者	Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
登録日	1991-01-05
公開日	1991-04-15
最終更新日	2017-11-29
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin. Biochem.J., 289 ( Pt 2), 1993

3NZ0

Non-phosphorylated TYK2 kinase with CMP6
分子名称:	2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2
著者	Eigenbrot, C, Ultsch, M.
登録日	2010-07-15
公開日	2010-10-20
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011

4OWW

Structural basis of SOSS1 in complex with a 35nt ssDNA
分子名称:	DNA (5'-D(PTPTPTPTPTPT)-3'), Integrator complex subunit 3, SOSS complex subunit B1, ...
著者	Ren, W, Sun, Q, Tang, X, Song, H.
登録日	2014-02-04
公開日	2014-04-16
最終更新日	2023-12-27
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA. Cell Rep, 6, 2014

6R38

T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid
分子名称:	2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
著者	Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日	2019-03-19
公開日	2020-04-08
最終更新日	2024-01-24
実験手法	X-RAY DIFFRACTION (2.33 Å)
主引用文献	Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019

3I6O

Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A
分子名称:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ...
著者	Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
登録日	2009-07-07
公開日	2009-09-29
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.17 Å)
主引用文献	Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009

6LRX

Marsupenaeus japonicus ferritin mutant(T158H)
分子名称:	FE (III) ION, Ferritin, NICKEL (II) ION
著者	Zhao, G, Tan, X.
登録日	2020-01-16
公開日	2020-11-25
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.702 Å)
主引用文献	Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking. Commun Chem, 2020

6LS2

Marsupenaeus japonicus ferritin mutant (T158H) pH 4.0
分子名称:	Ferritin
著者	Zhao, G, Tan, X, Zhang, T.
登録日	2020-01-16
公開日	2020-11-25
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking. Commun Chem, 2020

6LS4

A novel anti-tumor agent S-40 in complex with tubulin
分子名称:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
著者	Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
登録日	2020-01-17
公開日	2021-01-20
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity. Cancer Lett., 495, 2020

4KVN

Crystal structure of Fab 39.29 in complex with Influenza Hemagglutinin A/Perth/16/2009 (H3N2)
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, Hemagglutinin, ...
著者	Fong, R, Swem, L.R, Lupardus, P.J.
登録日	2013-05-22
公開日	2013-08-07
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (3.1 Å)
主引用文献	A Novel In vivo Human Plasmablast Enrichment Technique Allows Rapid Identification of Therapeutic Anti-Influenza A Antibodies Cell Host Microbe, 14, 2013

3NYX

Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor
分子名称:	2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者	Eigenbrot, C, Ultsch, M.
登録日	2010-07-15
公開日	2010-10-20
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011

2O5J

Crystal structure of the T. thermophilus RNAP polymerase elongation complex with the NTP substrate analog
分子名称:	5'-D(APAPCPGPCPCPAPGPAPCPAPGPGPG)-3', 5'-D(PCPCPCPTPGPTPCPTPGPGPCPGPTPTPCPGPCPGPCPGPCPCPG)-3', 5'-R(PGPAPGPUPCPUPGPCPGPGPCPGPCPGPCP*G)-3', ...
著者	Vassylyev, D.G, Vassylyeva, M.N.
登録日	2006-12-06
公開日	2007-07-03
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Structural basis for substrate loading in bacterial RNA polymerase. Nature, 448, 2007

6LRW

Marsupenaeus japonicus ferritin mutant(T158H) pH 7.0
分子名称:	Ferritin
著者	Zhao, G, Tan, X, Zhang, T.
登録日	2020-01-16
公開日	2020-12-23
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking. Commun Chem, 2020

6US9

Influenza A M2 proton channel wild type TM domain bound to R-rimantadine
分子名称:	CHLORIDE ION, Matrix protein 2, RIMANTADINE
著者	Thomaston, J.L, DeGrado, W.F.
登録日	2019-10-25
公開日	2020-10-28
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity. Biochemistry, 2021

6BB3

Lactate Dehydrogenase in complex with inhibitor 3-((2-chlorophenyl)thio)-6-(6-((4-fluorophenyl)amino)pyridin-2-yl)-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one
分子名称:	(6R)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者	Chen, Z, Eigenbrot, C.
登録日	2017-10-16
公開日	2018-10-24
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published

3V43

Crystal structure of MOZ
分子名称:	ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ...
著者	Qiu, Y, Li, F.
登録日	2011-12-14
公開日	2012-06-27
最終更新日	2024-03-20
実験手法	X-RAY DIFFRACTION (1.47 Å)
主引用文献	Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription Genes Dev., 26, 2012

7JTM

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST
分子名称:	Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
著者	Sack, J.S.
登録日	2020-08-18
公開日	2020-09-16
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.43 Å)
主引用文献	Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg.Med.Chem.Lett., 30, 2020

3VWB

Crystal structure of VirB core domain (Se-Met derivative) complexed with the cis-acting site (5-BRU modifications) upstream icsb promoter
分子名称:	DNA (26-MER), Virulence regulon transcriptional activator virB
著者	Gao, X.P, Waltersperger, S, Wang, M.T, Cui, S.
登録日	2012-08-21
公開日	2013-08-21
最終更新日	2024-03-20
実験手法	X-RAY DIFFRACTION (2.416 Å)
主引用文献	Structural insights into VirB-DNA complexes reveal mechanism of transcriptional activation of virulence genes Nucleic Acids Res., 41, 2013

6EAC

Pseudomonas syringae SelO
分子名称:	1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者	Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A.
登録日	2018-08-02
公開日	2018-10-03
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.269 Å)
主引用文献	Protein AMPylation by an Evolutionarily Conserved Pseudokinase. Cell, 175, 2018

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