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4ZNT
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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Bromo-substituted OBHS derivative
分子名称: 3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZNM
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BU of 4znm by Molmil
Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
分子名称: C-domain type II peptide synthetase, CHLORIDE ION, SODIUM ION
著者Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-05-04
公開日2015-05-27
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
To Be Published
3LWB
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BU of 3lwb by Molmil
Crystal Structure of apo D-alanine:D-alanine Ligase (Ddl) from Mycobacterium tuberculosis
分子名称: D-alanine--D-alanine ligase, NITRATE ION
著者Bruning, J.B, Murillo, A.C, Chacon, O, Barletta, R.G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2010-02-23
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the Mycobacterium tuberculosis D-Alanine:D-Alanine Ligase, a Target of the Antituberculosis Drug D-Cycloserine.
Antimicrob.Agents Chemother., 55, 2011
4K2E
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BU of 4k2e by Molmil
HlyU from Vibrio cholerae N16961
分子名称: Transcriptional activator HlyU
著者Mukherjee, D, Datta, A.B, Chakrabarti, P.
登録日2013-04-09
公開日2014-04-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of HlyU, the hemolysin gene transcription activator, from Vibrio cholerae N16961 and functional implications.
Biochim.Biophys.Acta, 1844, 2014
6QM3
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BU of 6qm3 by Molmil
Crystal structure of a calcium- and sodium-bound mouse Olfactomedin-1 disulfide-linked dimer of the Olfactomedin domain and part of coiled coil
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CACODYLATE ION, ...
著者Pronker, M.F, van den Hoek, H.G, Janssen, B.J.C.
登録日2019-02-01
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and structural characterisation of olfactomedin-1 variants as tools for functional studies.
BMC Mol Cell Biol, 20, 2019
8BDA
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IFTA complex in anterograde intraflagellar transport trains (Chlamydomonas reinhardtii)
分子名称: Intraflagellar transport particle protein 140, Intraflagellar transport protein 121, Intraflagellar transport protein 122 homolog, ...
著者Lacey, S.E, Foster, H.E, Pigino, G.
登録日2022-10-18
公開日2023-01-11
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (20.700001 Å)
主引用文献The molecular structure of IFT-A and IFT-B in anterograde intraflagellar transport trains.
Nat.Struct.Mol.Biol., 30, 2023
2YA1
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Product complex of a multi-modular glycogen-degrading pneumococcal virulence factor SpuA
分子名称: PUTATIVE ALKALINE AMYLOPULLULANASE, SODIUM ION, SULFATE ION, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
3LYU
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Crystal Structure of the C-terminal domain (residues 83-215) of PF1911 hydrogenase from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR246A
分子名称: Putative hydrogenase
著者Forouhar, F, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-02-28
公開日2010-03-23
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Northeast Structural Genomics Consortium Target PfR246A
To be Published
3LY6
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BU of 3ly6 by Molmil
Crystal structure of human transglutaminase 2 complex with adenosine 5' Triphosphate
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Protein-glutamine gamma-glutamyltransferase 2
著者Han, B.G, Lee, B.I.
登録日2010-02-26
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Crystal structure of human transglutaminase 2 in complex with adenosine triphosphate
Int.J.Biol.Macromol., 47, 2010
5KUB
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BU of 5kub by Molmil
Bacillus cereus DNA glycosylase AlkD bound to 7-methylguanine nucleobase and DNA containing an oxocarbenium-intermediate analog
分子名称: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*CP*TP*CP*GP*GP*G)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2016-07-13
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A Catalytic Role for C-H/ pi Interactions in Base Excision Repair by Bacillus cereus DNA Glycosylase AlkD.
J.Am.Chem.Soc., 138, 2016
5WO4
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JAK1 complexed with compound 28
分子名称: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Lesburg, C.A, Patel, S.B.
登録日2017-08-01
公開日2017-12-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
3MCY
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BU of 3mcy by Molmil
Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.
分子名称: CALCIUM ION, CHLORIDE ION, FimH, ...
著者Ford, B.A, Hultgren, S.J.
登録日2010-03-29
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based drug design and optimization of mannoside bacterial FimH antagonists.
J.Med.Chem., 53, 2010
5KSU
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BU of 5ksu by Molmil
Crystal structure of HLA-DQ2.5-CLIP1 at 2.73 resolution
分子名称: HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DQ alpha 1 chain, ...
著者Nguyen, T.-B, Jayaraman, P, Bergseng, E, Madhusudhan, M.S, Kim, C.-Y, Sollid, L.M.
登録日2016-07-10
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Unraveling the structural basis for the unusually rich association of human leukocyte antigen DQ2.5 with class-II-associated invariant chain peptides.
J. Biol. Chem., 292, 2017
8BJD
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BU of 8bjd by Molmil
Full length structure of LpMIP with bound inhibitor JK095
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-04
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BK4
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Full length structure of the apo-state LpMIP.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Macrophage infectivity potentiator, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-08
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BK5
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A structure of the truncated LpMIP with bound inhibitor JK095.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase, SODIUM ION
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-08
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BJH
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BU of 8bjh by Molmil
chimera of the inactive ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, with the double mutation K3528M and K3535I, fused to a proline-Rich-Domain (PRD) and profilin, bound to Latrunculin B-ADP-Mg-actin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
著者Teixeira-Nunes, M, Renault, L, Retailleau, P.
登録日2022-11-04
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
4ZWM
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BU of 4zwm by Molmil
2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49
分子名称: Ornithine aminotransferase, mitochondrial, putative, ...
著者Filippova, E.V, Minasov, G, Flores, K, Van Le, H, Silverman, R.B, McLeod, R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-19
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49
To Be Published
2B8H
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BU of 2b8h by Molmil
A/NWS/whale/Maine/1/84 (H1N9) reassortant influenza virus neuraminidase
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, CHLORIDE ION, ...
著者Smith, B.J, Platis, D, Cox, M.M.J, Huyton, T, Joosten, R.P, McKimm-Breschkin, J.L, Zhang, J.-G, Luo, C.S, Lou, M.-Z, Garrett, T.P.J, Labrou, N.E.
登録日2005-10-07
公開日2006-09-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a calcium-deficient form of influenza virus neuraminidase: implications for substrate binding.
Acta Crystallogr.,Sect.D, 62, 2006
8BJE
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A structure of the truncated LpMIP with bound inhibitor JK236.
分子名称: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Peptidyl-prolyl cis-trans isomerase
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-04
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BJC
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Full length structure of the apo-state LpMIP.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
登録日2022-11-03
公開日2023-09-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
2AGJ
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BU of 2agj by Molmil
Crystal Structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Yvo Fab, Heavy Chain, ...
著者Ramsland, P.A, Terzyan, S.S, Cloud, G, Bourne, C.R, Farrugia, W, Tribbick, G, Geysen, H.M, Moomaw, C.R, Slaughter, C.A, Edmundson, A.B.
登録日2005-07-27
公開日2006-05-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody
Biochem.J., 395, 2006
4K1Y
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Crystal structure of Canavalia boliviana lectin in complex with Man1-3Man-OMe
分子名称: CADMIUM ION, CALCIUM ION, Canavalia boliviana lectin, ...
著者Bezerra, G.A, Viertlmayr, R, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
登録日2013-04-07
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014
7MHR
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KcsA E71V closed gate with K+
分子名称: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
著者Rohaim, A, Li, J, Weingarth, M, Roux, B.
登録日2021-04-15
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022
7MHX
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KcsA E71V closed gate with Ba2+
分子名称: BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ...
著者Rohaim, A, Li, J, Weingarth, M, Roux, B.
登録日2021-04-15
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.
Nat Commun, 13, 2022

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