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4V0I
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Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta
分子名称: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
著者Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W.
登録日2014-09-16
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
4UV3
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Structure of the curli transport lipoprotein CsgG in its membrane- bound conformation
分子名称: CURLI PRODUCTION ASSEMBLY/TRANSPORT COMPONENT CSGG
著者Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H.
登録日2014-08-04
公開日2014-09-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg.
Nature, 516, 2014
4V3Q
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Designed armadillo repeat protein with 4 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
分子名称: CALCIUM ION, GLYCEROL, YIII_M4_AII
著者Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
登録日2014-10-20
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of designed armadillo-repeat proteins show propagation of inter-repeat interface effects.
Acta Crystallogr D Struct Biol, 72, 2016
2QQ1
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BU of 2qq1 by Molmil
Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5
分子名称: Molybdenum cofactor biosynthesis MOG
著者Jeyakanthan, J, Mahesh, S, Kanaujia, S.P, Ramakumar, S, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-07-26
公開日2008-07-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex Aeolicus Vf5
To be Published
4V0O
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BU of 4v0o by Molmil
Crystal structure of BBS1N in complex with ARL6DN, soaked with lead
分子名称: ARF-LIKE SMALL GTPASE, BARDET-BIEDL SYNDROME 1 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Mourao, A, Lorentzen, E.
登録日2014-09-17
公開日2014-11-19
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.351 Å)
主引用文献Structural Basis for Membrane Targeting of the Bbsome by Arl6
Nat.Struct.Mol.Biol., 21, 2014
2QNP
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BU of 2qnp by Molmil
HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-07-19
公開日2008-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
8CXK
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Structure of the C. elegans HIM-3 R93Y mutant
分子名称: HORMA domain-containing protein
著者Ego, K.M, Russo, A, Giacopazzi, S, Deshong, A, Menon, M, Ortiz, V, Bhalla, N, Corbett, K.D.
登録日2022-05-21
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The conserved AAA ATPase PCH-2 distributes its regulation of meiotic prophase events through multiple meiotic HORMADs in C. elegans.
Plos Genet., 19, 2023
4V5C
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Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A-site tRNA, deacylated P-site tRNA, and E-site tRNA.
分子名称: 16S ribosomal RNA, 23S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V.
登録日2009-03-24
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Insights Into Substrate Stabilization from Snapshots of the Peptidyl Transferase Center of the Intact 70S Ribosome
Nat.Struct.Mol.Biol., 16, 2009
1M34
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Nitrogenase Complex From Azotobacter Vinelandii Stabilized By ADP-Tetrafluoroaluminate
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Schmid, B, Einsle, O, Chiu, H.-J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C.
登録日2002-06-27
公開日2003-02-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4 Stabilized structure
Biochemistry, 41, 2002
4V84
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Crystal structure of a complex containing domain 3 of CrPV IGR IRES RNA bound to the 70S ribosome.
分子名称: 23S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Zhu, J, Korostelev, A, Costantino, D, Noller, H.F, Kieft, J.S.
登録日2010-12-13
公開日2014-07-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structures of complexes containing domains from two viral internal ribosome entry site (IRES) RNAs bound to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 108, 2011
4V7P
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BU of 4v7p by Molmil
Recognition of the amber stop codon by release factor RF1.
分子名称: 16S rRNA (1504-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Korostelev, A, Zhu, J, Asahara, H, Noller, H.F.
登録日2010-04-29
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Recognition of the amber UAG stop codon by release factor RF1.
Embo J., 29, 2010
2QYH
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BU of 2qyh by Molmil
Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
分子名称: GLYCEROL, Hypothetical conserved protein, GK1056
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-08-15
公開日2008-08-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
To be Published
1MB3
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BU of 1mb3 by Molmil
CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK AT PH 8.5 IN COMPLEX WITH MG2+
分子名称: MAGNESIUM ION, cell division response regulator DivK
著者Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE)
登録日2002-08-02
公開日2002-12-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystallographic and Biochemical Studies of DivK Reveal Novel Features of an Essential Response Regulator in Caulobacter crescentus.
J.Biol.Chem., 277, 2002
4W8K
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BU of 4w8k by Molmil
Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1
分子名称: Cas1 protein, POTASSIUM ION
著者Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-08-25
公開日2014-09-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献To be published
To Be Published
4W9D
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BU of 4w9d by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methyloxazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 3)
分子名称: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-oxazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Hewitt, S, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4V88
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The structure of the eukaryotic ribosome at 3.0 A resolution.
分子名称: 18S RIBOSOMAL RNA, 18S rRNA, 25S rRNA, ...
著者Ben-Shem, A, Garreau de Loubresse, N, Melnikov, S, Jenner, L, Yusupova, G, Yusupov, M.
登録日2011-10-11
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of the eukaryotic ribosome at 3.0 angstrom resolution.
Science, 334, 2011
4UQK
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Electron density map of GluA2em in complex with quisqualate and LY451646
分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2
著者Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
登録日2014-06-24
公開日2014-08-13
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (16.4 Å)
主引用文献Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
2R43
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BU of 2r43 by Molmil
I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor
分子名称: CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ...
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2007-08-30
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease
J.Mol.Biol., 383, 2008
4UXS
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Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ...
著者Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
登録日2014-08-27
公開日2014-09-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
4W5C
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Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide).
分子名称: 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ...
著者Tochowicz, A, McKerrow, J.H, Craik, C.S.
登録日2014-08-17
公開日2015-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
To Be Published
4V3F
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Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with betaine aldehyde
分子名称: 2-ETHOXYETHANOL, BETAINE ALDEHYDE DEHYDROGENASE, CHLOROPLASTIC, ...
著者Zarate-Romero, A, Munoz-Clares, R.A.
登録日2014-10-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Reversible, Partial Inactivation of Plant Betaine Aldehyde Dehydrogenase by Betaine Aldehyde: Mechanism and Possible Physiological Implications.
Biochem.J., 473, 2016
4V4D
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Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with pyrogallol
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,3-TRIOL, CALCIUM ION, ...
著者Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H.
登録日2004-06-02
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
PROC.NATL.ACAD.SCI.USA, 101, 2004
2QG7
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Plasmodium vivax ethanolamine kinase Pv091845
分子名称: SULFATE ION, ethanolamine kinase Pv091845
著者Lunin, V.V, Wernimont, A.K, Mulichak, A, Lew, J, Wasney, G, Senisterra, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Artz, J, Xiao, T, Structural Genomics Consortium (SGC)
登録日2007-06-28
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Plasmodium vivax ethanolamine kinase Pv091845
TO BE PUBLISHED
4V4N
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Structure of the Methanococcus jannaschii ribosome-SecYEBeta channel complex
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein L7AE, ...
著者Menetret, J.F, Park, E, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A, Akey, C.W.
登録日2013-06-17
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
4V5A
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Structure of the Ribosome Recycling Factor bound to the Thermus thermophilus 70S ribosome with mRNA, ASL-Phe and tRNA-fMet
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Weixlbaumer, A, Petry, S, Dunham, C.M, Selmer, M, Kelley, A.C, Ramakrishnan, V.
登録日2007-06-28
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of the ribosome recycling factor bound to the ribosome.
Nat. Struct. Mol. Biol., 14, 2007

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