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PDB: 22600 件

6GZY
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BU of 6gzy by Molmil
HOIP-fragment5 complex
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF31, SODIUM ION, ...
著者Johansson, H, Tsai, Y.C.I, Fantom, K, Chung, C.W, Martino, L, House, D, Rittinger, K.
登録日2018-07-05
公開日2019-01-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fragment-Based Covalent Ligand Screening Enables Rapid Discovery of Inhibitors for the RBR E3 Ubiquitin Ligase HOIP.
J. Am. Chem. Soc., 141, 2019
6H04
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BU of 6h04 by Molmil
Closed conformation of the Membrane Attack Complex
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, Complement C5,Complement C5, ...
著者Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D.
登録日2018-07-06
公開日2018-12-19
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
6FJM
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BU of 6fjm by Molmil
tubulin-Disorazole Z complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ...
著者Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O.
登録日2018-01-22
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
7ABO
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BU of 7abo by Molmil
Structure of the N318H variant of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA in complex with FMN
分子名称: FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, SODIUM ION, ...
著者Leys, D, Marshall, S.A.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence.
Acs Catalysis, 11, 2021
6H3N
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BU of 6h3n by Molmil
Structure of VgrG1 in the Type VI secretion VgrG1-Tse6-EF-Tu complex embedded in lipid nanodiscs
分子名称: VgrG1
著者Quentin, D, Raunser, S.
登録日2018-07-19
公開日2018-09-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Mechanism of loading and translocation of type VI secretion system effector Tse6.
Nat Microbiol, 3, 2018
1M32
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BU of 1m32 by Molmil
Crystal Structure of 2-aminoethylphosphonate Transaminase
分子名称: 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ...
著者Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O.
登録日2002-06-26
公開日2002-11-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
6H4D
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BU of 6h4d by Molmil
Crystal structure of RsgA from Pseudomonas aeruginosa
分子名称: GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ZINC ION
著者Rocchio, S, Santorelli, D, Travaglini-Allocatelli, C, Federici, L, Di Matteo, A.
登録日2018-07-20
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional investigation of the Small Ribosomal Subunit Biogenesis GTPase A (RsgA) from Pseudomonas aeruginosa.
Febs J., 286, 2019
7ABN
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BU of 7abn by Molmil
Structure of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, IMIDAZOLE, MANGANESE (II) ION, ...
著者Leys, D.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and Mechanism of Pseudomonas aeruginosa PA0254/HudA, a prFMN-Dependent Pyrrole-2-carboxylic Acid Decarboxylase Linked to Virulence.
Acs Catalysis, 11, 2021
7A9W
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BU of 7a9w by Molmil
Structure of yeast Rmd9p in complex with 20nt target RNA
分子名称: CHLORIDE ION, Protein RMD9, mitochondrial, ...
著者Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
登録日2020-09-02
公開日2021-04-07
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 118, 2021
7A9X
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BU of 7a9x by Molmil
Structure of yeast Rmd9p in complex with 16nt target RNA
分子名称: CHLORIDE ION, Protein RMD9, mitochondrial, ...
著者Hillen, H.S, Markov, D.A, Ireneusz, W.D, Hofmann, K.B, Cowan, A.T, Jones, J.L, Temiakov, D, Cramer, P, Anikin, M.
登録日2020-09-02
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The pentatricopeptide repeat protein Rmd9 recognizes the dodecameric element in the 3'-UTRs of yeast mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 118, 2021
1KR3
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BU of 1kr3 by Molmil
Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050.
分子名称: 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ...
著者Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A.
登録日2002-01-08
公開日2003-01-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases
ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
6H1L
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BU of 6h1l by Molmil
Structure of the BM3 heme domain in complex with tioconazole
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Jeffreys, L.N, Munro, A.W.M, Leys, D.
登録日2018-07-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
6BL5
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BU of 6bl5 by Molmil
Head decoration protein from the hyperthermophilic phage P74-26
分子名称: Head decoration protein
著者Stone, N.P, Hilbert, B.J, Hidalgo, D, Halloran, K.T, Kelch, B.A.
登録日2017-11-09
公開日2018-02-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A Hyperthermophilic Phage Decoration Protein Suggests Common Evolutionary Origin with Herpesvirus Triplex Proteins and an Anti-CRISPR Protein.
Structure, 26, 2018
6GYR
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BU of 6gyr by Molmil
Transcription factor dimerization activates the p300 acetyltransferase
分子名称: Histone acetyltransferase p300, ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
著者Panne, D, Ortega, E.
登録日2018-07-01
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Transcription factor dimerization activates the p300 acetyltransferase.
Nature, 562, 2018
6BKI
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BU of 6bki by Molmil
Crystal structure of T101A variant mouse cathepsin K at 2.94 Angstrom resolution.
分子名称: Cathepsin K, SULFATE ION
著者Law, S, Aguda, A, Brayer, G, Bromme, D.
登録日2017-11-08
公開日2018-11-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Crystal structure of T101A variant mouse cathepsin K at 2.94 Angstrom resolution.
To Be Published
6BNB
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BU of 6bnb by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET57 PROTAC
分子名称: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
著者Nowak, R.P, DeAngelo, S.L, Buckley, D, Ishoey, M, He, Z, Zhang, T, Bradner, J.E, Fischer, E.S.
登録日2017-11-16
公開日2018-05-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (6.343 Å)
主引用文献Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6ZWM
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BU of 6zwm by Molmil
cryo-EM structure of human mTOR complex 2, overall refinement
分子名称: ACETYL GROUP, INOSITOL HEXAKISPHOSPHATE, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Scaiola, A, Mangia, F, Imseng, S, Boehringer, D, Ban, N, Maier, T.
登録日2020-07-28
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The 3.2- angstrom resolution structure of human mTORC2.
Sci Adv, 6, 2020
7A21
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BU of 7a21 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type I, ...
著者Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2020-08-14
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2153
To Be Published
7A4U
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BU of 7a4u by Molmil
Crystal structure of lid-truncated apo BiP in an oligomeric state
分子名称: Endoplasmic reticulum chaperone BiP, GLYCEROL
著者Perera, L.A, Ron, D.
登録日2020-08-20
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
1KSF
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BU of 1ksf by Molmil
Crystal Structure of ClpA, an HSP100 chaperone and regulator of ClpAP protease: Structural basis of differences in Function of the Two AAA+ ATPase domains
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT CLP PROTEASE ATP-BINDING SUBUNIT CLPA, ISOPROPYL ALCOHOL, ...
著者Guo, F, Maurizi, M.R, Esser, L, Xia, D.
登録日2002-01-12
公開日2002-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of ClpA, an HSP100 chaperone and regulator of ClpAP protease
J.Biol.Chem., 277, 2002
6H1O
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BU of 6h1o by Molmil
Structure of the BM3 heme domain in complex with voriconazole
分子名称: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Jeffreys, L.N, Munro, A.W.M, Leys, D.
登録日2018-07-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
6IEZ
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BU of 6iez by Molmil
Crystal structure of CERT START domain in complex with compound B16
分子名称: 2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT
著者Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
登録日2018-09-18
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
6ZY1
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BU of 6zy1 by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged in complex with 3-bromo-4-hydroxybenzoic acid
分子名称: 3 bromo 4 hydroxybenzoic acid, COBALAMIN, IRON/SULFUR CLUSTER, ...
著者Leys, D, Halliwell, T.
登録日2020-07-30
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
6ZQI
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BU of 6zqi by Molmil
Cryo-EM structure of Spondweni virus prME
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
著者Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
登録日2020-07-09
公開日2021-01-20
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
1KVK
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BU of 1kvk by Molmil
The Structure of Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, mevalonate kinase
著者Fu, Z, Wang, M, Potter, D, Mizioko, H.M, Kim, J.J.
登録日2002-01-26
公開日2002-03-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of a Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease
J.Biol.Chem., 277, 2002

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