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PDB: 2996 件

4C27
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Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide, ...
著者Vieira, D.F, Calvet, C.M, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-16
公開日2014-09-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
5GKC
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BU of 5gkc by Molmil
The crystal structure of the CPS-6 H148A/F122A
分子名称: Endonuclease G, mitochondrial
著者Lin, J.L, Yuan, H.S.
登録日2016-07-04
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Crystal structure of endonuclease G in complex with DNA reveals how it nonspecifically degrades DNA as a homodimer.
Nucleic Acids Res., 44, 2016
3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
分子名称: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR1
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BU of 3kr1 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-chloro-1H-benzo[d]imidazol-2-amine
分子名称: 6-chloro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
6WYE
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BU of 6wye by Molmil
Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE)
分子名称: (2S)-2-hydroxybutanedioic acid, SODIUM ION, Serine acetyltransferase
著者Hicks, J.L, Oldham, K.E, Summers, E.L, Prentice, E.J.
登録日2020-05-12
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
Biochem.J., 479, 2022
5TZ7
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Crystal Structure of CurK Dehydratase D1169N Inactive Mutant
分子名称: CITRATE ANION, CurK
著者Dodge, G.J, Smith, J.L.
登録日2016-11-21
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
4IZ8
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BU of 4iz8 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS H8E at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Bell-Upp, P.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2013-01-29
公開日2013-02-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS H8E at cryogenic temperature
To be Published
4MPE
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BU of 4mpe by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8
分子名称: 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
4J1M
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Crystal structure of Staphylococcal nuclease variant Delta+PHS R105E at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno E, B.
登録日2013-02-01
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS R105E at cryogenic temperature
To be Published
4C1S
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BU of 4c1s by Molmil
Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE
著者Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J.
登録日2013-08-13
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
6WW6
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BU of 6ww6 by Molmil
Crystal structure of EutV bound to RNA
分子名称: BERYLLIUM TRIFLUORIDE ION, Response regulator, eutP P2
著者Ataide, S.F, Walshe, J.L.
登録日2020-05-07
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural characterization of the ANTAR antiterminator domain bound to RNA.
Nucleic Acids Res., 50, 2022
4CCT
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BU of 4cct by Molmil
Dengue 1 cryo-EM reconstruction
分子名称: DENGUE VIRUS 1 E PROTEIN, DENGUE VIRUS 1 M PROTEIN
著者Kostyuchenko, V.A, Zhang, Q, Tan, J.L, Ng, T.S, Lok, S.M.
登録日2013-10-28
公開日2013-11-06
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Immature and Mature Dengue Serotype 1 Virus Structures Provide Insight Into the Maturation Process.
J.Virol., 87, 2013
4J2I
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BU of 4j2i by Molmil
Multiple crystal structures of an all-AT DNA dodecamer stabilized by weak interactions
分子名称: 5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3'
著者Acosta-Reyes, F.J, Subirana, J.A, Pous, J, Sanchez, R, Condom, N, Baldini, R, Malinina, L, Campos, J.L.
登録日2013-02-04
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Polymorphic crystal structures of an all-AT DNA dodecamer.
Biopolymers, 103, 2015
5GAR
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BU of 5gar by Molmil
Thermus thermophilus V/A-ATPase, conformation 1
分子名称: Archaeal/vacuolar-type H+-ATPase subunit I, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ...
著者Schep, D.G, Zhao, J, Rubinstein, J.L.
登録日2016-02-05
公開日2016-03-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Models for the a subunits of the Thermus thermophilus V/A-ATPase and Saccharomyces cerevisiae V-ATPase enzymes by cryo-EM and evolutionary covariance.
Proc.Natl.Acad.Sci.USA, 113, 2016
4ISV
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BU of 4isv by Molmil
Crystal structure of the Fab FRAGMENT OF 1C2, A MONOCLONAL ANTIBODY SPECIFIC FOR POLY-GLUTAMINE
分子名称: 1C2 FAB HEAVY CHAIN, 1C2 FAB LIGHT CHAIN
著者Klein, F.A.C, Zeder-Lutz, G, Cousido-Siah, A, Mitschler, A, Katz, A, Eberling, P, Mandel, J.L, Podjarny, A, Trottier, Y.
登録日2013-01-17
公開日2013-07-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Linear and extended: a common polyglutamine conformation recognized by the three antibodies MW1, 1C2 and 3B5H10.
Hum.Mol.Genet., 22, 2013
5TZ6
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BU of 5tz6 by Molmil
Crystal Structure of CurJ Dehydratase H978F Inactive Mutant In Complex with Compound 21
分子名称: (2E,5R)-5-hydroxy-2-methylhept-2-enoic acid, CurJ
著者Dodge, G.J, Smith, J.L.
登録日2016-11-21
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
4C2I
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BU of 4c2i by Molmil
Cryo-EM structure of Dengue virus serotype 1 complexed with Fab fragments of human antibody 1F4
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fibriansah, G, Tan, J.L, de Alwis, R, Smith, S.A, Ng, T.-S, Kostyuchenko, V.A, Ibarra, K.D, Harris, E, de Silva, A, Crowe Junior, J.E, Lok, S.-M.
登録日2013-08-18
公開日2014-01-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献A Potent Anti-Dengue Human Antibody Preferentially Recognizes the Conformation of E Protein Monomers Assembled on the Virus Surface.
Embo Mol.Med., 6, 2014
4MIU
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BU of 4miu by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/V99T at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
登録日2013-09-02
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Cavities in proteins
To be Published
4BV8
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Crystal structure of the apo form of mouse Mu-crystallin.
分子名称: GLYCEROL, POTASSIUM ION, THIOMORPHOLINE-CARBOXYLATE DEHYDROGENASE
著者Borel, F, Hachi, I, Palencia, A, Gaillard, M.C, Ferrer, J.L.
登録日2013-06-25
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Mouse Mu-Crystallin Complexed with Nadph and the T3 Thyroid Hormone
FEBS J., 281, 2014
6XH3
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BU of 6xh3 by Molmil
Co-crystal structure of HIV-1 TAR RNA in complex with lab-evolved RRM TBP6.3
分子名称: TAR BINDING PROTEIN TBP 6.3, TRANS-ACTIVATION RESPONSE ELEMENT
著者Chavali, S.S, Jenkins, J.L, Wedekind, J.E.
登録日2020-06-18
公開日2020-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors.
J.Biol.Chem., 295, 2020
4MPC
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BU of 4mpc by Molmil
Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2
分子名称: 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ...
著者Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T.
登録日2013-09-12
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket.
J.Biol.Chem., 289, 2014
7OXE
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BU of 7oxe by Molmil
Crystal structure of the KDEL receptor bound to HDEF peptide at pH 6.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ER lumen protein-retaining receptor 2, THR-ALA-GLU-HIS-ASP-GLU-PHE
著者Newstead, S, Parker, J.L.
登録日2021-06-22
公開日2022-07-13
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.283 Å)
主引用文献Molecular basis for pH sensing in the KDEL trafficking receptor.
Structure, 32, 2024
5TRF
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MDM2 in complex with SAR405838
分子名称: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2016-10-26
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
5U3E
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Crystal Structure of Native Lectin from Canavalia bonariensis Seeds (CaBo) complexed with alpha-methyl-D-mannoside
分子名称: CALCIUM ION, Canavalia bonariensis seed lectin, MANGANESE (II) ION, ...
著者Silva, M.T.L, Osterne, V.J.S, Pinto-Junior, V.R, Santiago, M.Q, Araripe, D.A, Neco, A.H.B, Silva-Filho, J.C, Martins, J.L, Rocha, C.R.C, Leal, R.B, Nascimento, K.S, Cavada, B.S.
登録日2016-12-02
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Canavalia bonariensis lectin: Molecular bases of glycoconjugates interaction and antiglioma potential.
Int. J. Biol. Macromol., 106, 2018
8EGS
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BU of 8egs by Molmil
Tail knob structure of Staphylococcus phage Andhra
分子名称: Lower collar protein, Major tail protein
著者Kizziah, J.L, Hawkins, N.C, Dokland, T.
登録日2022-09-13
公開日2022-12-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structure and host specificity of Staphylococcus epidermidis bacteriophage Andhra.
Sci Adv, 8, 2022

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