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4CH2
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Low-salt crystal structure of a thrombin-GpIbalpha peptide complex
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
著者Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
登録日2013-11-28
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Gpibalpha Interacts Exclusively with Exosite II of Thrombin
J.Mol.Biol., 426, 2014
4CIZ
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BU of 4ciz by Molmil
Crystal structure of the complex of the Cellular Retinal Binding Protein with 9-cis-retinal
分子名称: L(+)-TARTARIC ACID, RETINAL, RETINALDEHYDE-BINDING PROTEIN 1
著者Bolze, C.S, Helbling, R.E, Owen, R.L, Pearson, A.R, Pompidor, G, Dworkowski, F, Fuchs, M.R, Furrer, J, Golczak, M, Palczewski, K, Cascella, M, Stocker, A.
登録日2013-12-18
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.403 Å)
主引用文献Human Cellular Retinaldehyde-Binding Protein Has Secondary Thermal 9-Cis-Retinal Isomerase Activity.
J.Am.Chem.Soc., 136, 2014
4CFQ
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BU of 4cfq by Molmil
Ca-bound truncated (delta13C) and C3S, C81S and C86S mutated S100A4 complexed with non-muscle myosin IIA
分子名称: CALCIUM ION, MYOSIN-9, PROTEIN S100-A4
著者Duelli, A, Kiss, B, Lundholm, I, Bodor, A, Radnai, L, Petoukhov, M, Svergun, D, Nyitray, L, Katona, G.
登録日2013-11-19
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献The C-Terminal Random Coil Region Tunes the Ca2+-Binding Affinity of S100A4 Through Conformational Activation.
Plos One, 9, 2014
4C4Z
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BU of 4c4z by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8
分子名称: 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
登録日2013-09-09
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Y
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BU of 4c4y by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4
分子名称: 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
登録日2013-09-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4X
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BU of 4c4x by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9
分子名称: 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
登録日2013-09-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4BPF
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BU of 4bpf by Molmil
High resolution crystal structure of Bacillus subtilis DltC S36A
分子名称: D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2
著者Zimmermann, S, Neumann, P, Stubbs, M.T.
登録日2013-05-26
公開日2014-06-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
FEBS Lett., 589, 2015
4BPH
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BU of 4bph by Molmil
High resolution crystal structure of Bacillus subtilis DltC
分子名称: 4'-PHOSPHOPANTETHEINE, D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2, MAGNESIUM ION
著者Zimmermann, S, Neumann, P, Stubbs, M.T.
登録日2013-05-26
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
FEBS Lett., 589, 2015
4EO7
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BU of 4eo7 by Molmil
Crystal structure of the TIR domain of human myeloid differentiation primary response protein 88.
分子名称: MAGNESIUM ION, Myeloid differentiation primary response protein MyD88
著者Snyder, G.A, Cirl, C, Jiang, J.S, Chen, P, Smith, T, Xiao, T.S.
登録日2012-04-13
公開日2013-04-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EHQ
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BU of 4ehq by Molmil
Crystal Structure of Calmodulin Binding Domain of Orai1 in Complex with Ca2+/Calmodulin Displays a Unique Binding Mode
分子名称: CALCIUM ION, Calcium release-activated calcium channel protein 1, Calmodulin, ...
著者Liu, Y, Zheng, X, Mueller, G.A, Sobhany, M, DeRose, E.F, Zhang, Y, London, R.E, Birnbaumer, L.
登録日2012-04-03
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9005 Å)
主引用文献Crystal structure of calmodulin binding domain of orai1 in complex with ca2+*calmodulin displays a unique binding mode.
J.Biol.Chem., 287, 2012
4FL5
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BU of 4fl5 by Molmil
Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS214
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Schumacher, B, Ottmann, C.
登録日2012-06-14
公開日2013-12-11
最終更新日2017-06-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau.
FASEB J., 29, 2015
4FNI
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BU of 4fni by Molmil
Crystal structure of IsdI-W66Y in complex with heme and cyanide
分子名称: CYANIDE ION, Heme-degrading monooxygenase isdI, MAGNESIUM ION, ...
著者Ukpabi, G.N, Murphy, M.E.P.
登録日2012-06-19
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling.
J.Biol.Chem., 287, 2012
4G84
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BU of 4g84 by Molmil
Crystal structure of human HisRS
分子名称: CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic, ...
著者Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P.
登録日2012-07-21
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
4FYH
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BU of 4fyh by Molmil
Crystal structure of rcl with phospho-triciribine
分子名称: 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, Deoxyribonucleoside 5'-monophosphate N-glycosidase, SULFATE ION
著者Labesse, G, Padilla, A, Kaminski, P.A.
登録日2012-07-04
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structure of the oncoprotein Rcl bound to three nucleotide analogues.
Acta Crystallogr.,Sect.D, 69, 2013
4G1A
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BU of 4g1a by Molmil
Metal-binding properties of a self-assembled coiled coil: formation of a polynuclear Cd-thiolated cluster
分子名称: AQ-C16C19 peptide, CADMIUM ION
著者Ni, S, Kennedy, M.A, Ogawa, M.Y.
登録日2012-07-10
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Metal-binding properties and structural characterization of a self-assembled coiled coil: Formation of a polynuclear Cd-thiolate cluster.
J.Inorg.Biochem., 119C, 2012
4G85
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BU of 4g85 by Molmil
Crystal structure of human HisRS
分子名称: Histidine-tRNA ligase, cytoplasmic
著者Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P.
登録日2012-07-21
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
4FYK
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BU of 4fyk by Molmil
Crystal structure of rcl with 5'-phiosphorothioate-adenosine
分子名称: ADENOSINE -5'-THIO-MONOPHOSPHATE, Deoxyribonucleoside 5'-monophosphate N-glycosidase, SULFATE ION
著者Labesse, G, Padilla, A, Kaminski, P.A.
登録日2012-07-04
公開日2013-01-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of the oncoprotein Rcl bound to three nucleotide analogues.
Acta Crystallogr.,Sect.D, 69, 2013
4G5Y
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BU of 4g5y by Molmil
Crystal Structure of Mycobacterium tuberculosis Pantothenate synthetase in a ternary complex with ATP and N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C.
登録日2012-07-18
公開日2013-07-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GJB
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BU of 4gjb by Molmil
Crystal structure of renin in complex with NVP-BBV031 (compound 6)
分子名称: (3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
6OL4
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BU of 6ol4 by Molmil
Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, apo state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-04-15
公開日2020-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6O68
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BU of 6o68 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone
分子名称: Ciglitazone, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2019-03-05
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O67
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BU of 6o67 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
分子名称: Mitoglitazone, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2019-03-05
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OIE
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BU of 6oie by Molmil
The double PHD finger (DPF) of MORF in complex with histone H3K14cr
分子名称: Histone H3.1t peptide, Histone acetyltransferase KAT6B, ZINC ION
著者Klein, B.J, Kutateladze, T.G.
登録日2019-04-09
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.075 Å)
主引用文献Histone H3K23-specific acetylation by MORF is coupled to H3K14 acylation.
Nat Commun, 10, 2019
6OBW
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CSP1-cyc(K6D10)
分子名称: Competence-stimulating peptide type 1
著者Yang, Y.
登録日2019-03-21
公開日2020-01-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OII
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Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
分子名称: 1,2-ETHANEDIOL, AAEL005772-PA, ARACHIDONIC ACID, ...
著者Jones, D.N, Wang, J.
登録日2019-04-09
公開日2019-05-08
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020

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