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4JZV
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Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH bound to a non-hydrolysable triphosphorylated dinucleotide RNA (pcp-pGpG) - second guanosine residue in guanosine binding pocket
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, RNA (5'-R(*(GCP)P*G)-3'), ...
著者Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C.
登録日2013-04-03
公開日2013-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EX5
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BU of 4ex5 by Molmil
Crystal structure of lysyl-tRNA synthetase LysRS from Burkholderia thailandensis bound to lysine
分子名称: LYSINE, Lysine--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-29
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
4K2K
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BU of 4k2k by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/L36A/I92A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2013-04-09
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Pressure effects on proteins
To be Published
4K18
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BU of 4k18 by Molmil
Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4JYM
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BU of 4jym by Molmil
crystal Structure of KAI2 in complex with 3-methyl-2H-furo[2,3-c]pyran-2-one
分子名称: 3-methyl-2H-furo[2,3-c]pyran-2-one, Hydrolase, alpha/beta fold family protein
著者Guo, Y, Zheng, Z, Noel, J.P.
登録日2013-03-30
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Smoke-derived karrikin perception by the alpha/beta-hydrolase KAI2 from Arabidopsis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4E4T
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BU of 4e4t by Molmil
Crystal structure of Phosphoribosylaminoimidazole carboxylase, ATPase subunit from Burkholderia ambifaria
分子名称: Phosphoribosylaminoimidazole carboxylase, ATPase subunit, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-13
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4EFH
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BU of 4efh by Molmil
Acanthamoeba Actin complex with Spir domain D
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-1, CALCIUM ION, ...
著者Chen, C, Phillips, M, Sawaya, M.R, Quinlan, M.E.
登録日2012-03-29
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012
4EG1
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BU of 4eg1 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with substrate Methionine
分子名称: GLYCEROL, METHIONINE, Methionyl-tRNA synthetase, ...
著者Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2012-03-30
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4JZR
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BU of 4jzr by Molmil
Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors
分子名称: 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ...
著者Ma, Y, Yang, L.
登録日2013-04-03
公開日2013-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors
Bioorg.Med.Chem., 21, 2013
4K0Y
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BU of 4k0y by Molmil
Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
分子名称: N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2013-04-04
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
4E97
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BU of 4e97 by Molmil
T4 Lysozyme L99A/M102H with 2-Mercaptoethanol Bound
分子名称: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Merski, M, Shoichet, B.K.
登録日2012-03-20
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Engineering a model protein cavity to catalyze the Kemp elimination.
Proc.Natl.Acad.Sci.USA, 109, 2012
4JZ4
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BU of 4jz4 by Molmil
Crystal structure of chicken c-Src-SH3 domain: monomeric form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2013-04-02
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
4K1Z
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BU of 4k1z by Molmil
Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe
分子名称: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
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 (2.3 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
4EC6
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BU of 4ec6 by Molmil
Ntf2-like, potential transfer protein TraM from Gram-positive conjugative plasmid pIP501
分子名称: Putative uncharacterized protein
著者Goessweiner-Mohr, N, Grumet, L, Pavkov-Keller, T, Wang, M, Keller, W.
登録日2012-03-26
公開日2012-12-05
最終更新日2013-02-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The 2.5 A Structure of the Enterococcus Conjugation Protein TraM resembles VirB8 Type IV Secretion Proteins.
J.Biol.Chem., 288, 2013
4JZ3
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BU of 4jz3 by Molmil
Crystal structure of the chicken c-Src-SH3 domain intertwined dimer
分子名称: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
著者Camara-Artigas, A.
登録日2013-04-02
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
4EDI
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BU of 4edi by Molmil
Disulfide bonded EutL from Clostridium perfringens
分子名称: Ethanolamine utilization protein, SODIUM ION
著者Thompson, M.C, Cascio, D, Crowley, C.S, Kopstein, J.S, Yeates, T.O.
登録日2012-03-27
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献An allosteric model for control of pore opening by substrate binding in the EutL microcompartment shell protein.
Protein Sci., 24, 2015
4JZU
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BU of 4jzu by Molmil
Crystal structure of the Bacillus subtilis pyrophosphohydrolase BsRppH bound to a non-hydrolysable triphosphorylated dinucleotide RNA (pcp-pGpG) - first guanosine residue in guanosine binding pocket
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RNA (5'-R(*(GCP)P*G)-3'), RNA PYROPHOSPHOHYDROLASE
著者Piton, J, Larue, V, Thillier, Y, Dorleans, A, Pellegrini, O, Li de la Sierra-Gallay, I, Vasseur, J.J, Debart, F, Tisne, C, Condon, C.
登録日2013-04-03
公開日2013-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bacillus subtilis RNA deprotection enzyme RppH recognizes guanosine in the second position of its substrates.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K12
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BU of 4k12 by Molmil
Structural Basis for Host Specificity of Factor H Binding by Streptococcus pneumoniae
分子名称: Choline binding protein A, Complement factor H
著者Liu, A, Achila, D, Banerjee, R, Martinez-Hackert, E, Li, Y, Yan, H.
登録日2013-04-04
公開日2014-04-09
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.079 Å)
主引用文献Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae.
Biochem.J., 465, 2015
4EH6
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BU of 4eh6 by Molmil
Human p38 MAP kinase in complex with NP-F5 and RL87
分子名称: Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4K5A
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BU of 4k5a by Molmil
Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W
分子名称: Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12
著者Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A.
登録日2013-04-14
公開日2014-04-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W
J.Mol.Biol., 426, 2014
4E45
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BU of 4e45 by Molmil
Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM
分子名称: Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ...
著者Fox III, D, Zhao, Y, Yang, W, Weidong, W.
登録日2012-03-12
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA
To be Published
4K80
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BU of 4k80 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P)
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4EM6
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The structure of Glucose-6-phosphate isomerase (GPI) from Brucella melitensis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-11
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of Glucose-6-phosphate isomerase (GPI) from Brucella melitensis
TO BE PUBLISHED
4K4R
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BU of 4k4r by Molmil
TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite
分子名称: 1-bromonaphthalene-2-carboxylic acid, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
4E5W
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JAK1 kinase (JH1 domain) in complex with compound 26
分子名称: DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone
著者Murray, J.M.
登録日2012-03-14
公開日2012-05-30
最終更新日2012-07-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012

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