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4DWD
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BU of 4dwd by Molmil
Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium
分子名称: CHLORIDE ION, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ...
著者Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-02-24
公開日2012-03-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of mandelate racemase/muconate lactonizing protein from Paracoccus denitrificans PD1222 complexed with magnesium
To be Published
4DNP
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BU of 4dnp by Molmil
Crystal Structure of DAD2
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, DAD2, GLYCEROL
著者Hamiaux, C.
登録日2012-02-08
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献DAD2 Is an alpha/beta Hydrolase likely to Be Involved in the Perception of the Plant Branching Hormone, Strigolactone
Curr.Biol., 22, 2012
4DHE
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BU of 4dhe by Molmil
Crystal structure of a probable GTP-binding protein engB from Burkholderia thailandensis
分子名称: CHLORIDE ION, Probable GTP-binding protein EngB
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-27
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4GIP
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BU of 4gip by Molmil
Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 (PIV5) fusion protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1, Fusion glycoprotein F2
著者Welch, B.D, Liu, Y, Kors, C.A, Leser, G.P, Jardetzky, T.S, Lamb, R.A.
登録日2012-08-08
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the cleavage-activated prefusion form of the parainfluenza virus 5 fusion protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DLJ
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BU of 4dlj by Molmil
Human p38 MAP kinase in complex with RL163
分子名称: 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
著者Gruetter, C, Termathe, M.
登録日2012-02-06
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
4DIA
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BU of 4dia by Molmil
CRYSTAL STRUCTURE OF THE D248N mutant of 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE FROM SPHINGOMONAS PAUCIMOBILIS complexed with substrate at pH 4.6
分子名称: 2-pyrone-4,6-dicarbaxylate hydrolase
著者Malashkevich, V.N, Toro, R, Hobbs, M.E, Raushel, F.M, Almo, S.C.
登録日2012-01-11
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Catalytic Mechanism of LigI: Insight into the Amidohydrolase Enzymes of cog3618 and Lignin Degradation.
Biochemistry, 51, 2012
4DU9
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BU of 4du9 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/V74A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2012-02-21
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Pressure effects in proteins
To be Published
4DV9
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BU of 4dv9 by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
4E0N
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BU of 4e0n by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
著者Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
登録日2012-03-04
公開日2012-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DCL
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BU of 4dcl by Molmil
Computationally Designed Self-assembling tetrahedron protein, T308, Crystallized in space group F23
分子名称: Putative acetyltransferase SACOL2570
著者Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
登録日2012-01-17
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
4E7W
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BU of 4e7w by Molmil
Structure of GSK3 from Ustilago maydis
分子名称: Glycogen Synthase Kinase 3
著者Gruetter, C, Rauh, D.
登録日2012-03-19
公開日2012-05-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals.
Acs Chem.Biol., 7, 2012
4EGA
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BU of 4ega by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1320
分子名称: 2-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
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 (2.698 Å)
主引用文献Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4EGQ
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BU of 4egq by Molmil
Crystal structure of D-alanine-D-alanine ligase B from Burkholderia pseudomallei
分子名称: D-alanine--D-alanine ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-31
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of D-alanine-D-alanine ligase B from Burkholderia pseudomallei
To be Published
4EG4
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BU of 4eg4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1289
分子名称: 2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
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 (3.151 Å)
主引用文献Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4E51
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BU of 4e51 by Molmil
Crystal structure of a histidyl-tRNA synthetase HisRS from Burkholderia thailandensis bound to histidine
分子名称: HISTIDINE, Histidine--tRNA ligase
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 (2.65 Å)
主引用文献Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
2ZAZ
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BU of 2zaz by Molmil
Crystal structure of P38 in complex with 4-anilino quinoline inhibitor
分子名称: 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ...
著者Somers, D.O.
登録日2007-10-12
公開日2008-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
4EHW
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BU of 4ehw by Molmil
Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase
著者Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
登録日2012-04-04
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EAM
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BU of 4eam by Molmil
1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ...
著者Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J.
登録日2012-03-22
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
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
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
4EG8
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BU of 4eg8 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with compound Chem 89
分子名称: 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, GLYCEROL, ...
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 (2.596 Å)
主引用文献Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
3A9J
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BU of 3a9j by Molmil
Crystal structure of the mouse TAB2-NZF in complex with Lys63-linked di-ubiquitin
分子名称: Mitogen-activated protein kinase kinase kinase 7-interacting protein 2, Ubiquitin, ZINC ION
著者Sato, Y, Yoshikawa, A, Yamashita, M, Yamagata, A, Fukai, S.
登録日2009-10-29
公開日2009-12-08
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural basis for specific recognition of Lys 63-linked polyubiquitin chains by NZF domains of TAB2 and TAB3
Embo J., 28, 2009
3ABD
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BU of 3abd by Molmil
Structure of human REV7 in complex with a human REV3 fragment in a monoclinic crystal
分子名称: DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B
著者Hara, K, Hashimoto, H, Murakumo, Y, Kobayashi, S, Kogame, T, Unzai, S, Akashi, S, Takeda, S, Shimizu, T, Sato, M.
登録日2009-12-07
公開日2010-02-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human REV7 in complex with a human REV3 fragment and structural implication of the interaction between DNA polymerase {zeta} and REV1
J.Biol.Chem., 285, 2010
4EG3
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Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate
分子名称: GLYCEROL, Methionyl-tRNA synthetase, putative, ...
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2017-11-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012

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