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6RKI
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BU of 6rki by Molmil
Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RKM
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BU of 6rkm by Molmil
Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
7YR7
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BU of 7yr7 by Molmil
Cryo-EM structure of Pseudomonas aeruginosa RsmZ RNA in complex with three RsmA protein dimers
分子名称: RsmZ RNA (118-MER), Translational regulator CsrA
著者Jia, X, Pan, Z, Yuan, Y, Luo, B, Luo, Y, Mukherjee, S, Jia, G, Liu, L, Ling, X, Yang, X, Wu, Y, Liu, T, Miao, Z, Wei, X, Bujnicki, J.M, Zhao, K, Su, Z.
登録日2022-08-09
公開日2023-05-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of sRNA RsmZ regulation of Pseudomonas aeruginosa virulence.
Cell Res., 33, 2023
4ZE8
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BU of 4ze8 by Molmil
PBP AccA from A. tumefaciens C58
分子名称: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
著者El Sahili, A, Morera, S.
登録日2015-04-20
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
7YR6
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BU of 7yr6 by Molmil
Cryo-EM structure of Pseudomonas aeruginosa RsmZ RNA in complex with two RsmA protein dimers
分子名称: RsmZ RNA, Translational regulator CsrA
著者Jia, X, Pan, Z, Yuan, Y, Luo, B, Luo, Y, Mukherjee, S, Jia, G, Ling, X, Yang, X, Wu, Y, Liu, T, Wei, X, Bujnick, J.M, Zhao, K, Su, Z.
登録日2022-08-09
公開日2023-05-17
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural basis of sRNA RsmZ regulation of Pseudomonas aeruginosa virulence.
Cell Res., 33, 2023
8CPD
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BU of 8cpd by Molmil
Cryo-EM structure of CRaf dimer with 14:3:3
分子名称: 14-3-3 protein zeta isoform X1, RAF proto-oncogene serine/threonine-protein kinase
著者Dedden, D, Graedler, U, Schwarz, D, Thomsen, M, Leuthner, B, Schneider, E, Nitsche, J.
登録日2023-03-02
公開日2024-02-21
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
6RSR
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BU of 6rsr by Molmil
TBK1 in complex with compound 2
分子名称: Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide
著者Panne, D, Hillig, R.C, Rengachari, S.
登録日2019-05-22
公開日2020-01-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
4ZHG
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BU of 4zhg by Molmil
Siderocalin-mediated recognition and cellular uptake of actinides
分子名称: AMERICIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.
Proc.Natl.Acad.Sci.USA, 112, 2015
6RWF
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BU of 6rwf by Molmil
The dissociation mechanism of processive cellulases
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Glucanase
著者Stahlberg, J, Knott, B.C.
登録日2019-06-04
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The dissociation mechanism of processive cellulases.
Proc.Natl.Acad.Sci.USA, 116, 2019
4P32
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BU of 4p32 by Molmil
Crystal structure of E. coli LptB in complex with ADP-magnesium
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION
著者Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D.
登録日2014-03-05
公開日2014-03-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport.
Proc.Natl.Acad.Sci.USA, 111, 2014
7VK1
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BU of 7vk1 by Molmil
Crystal Structure of SARS-CoV-2 Mpro at 1.93 A resolution-5
分子名称: 3C-like proteinase
著者DeMirci, H, Ertem, B.
登録日2021-09-29
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography
Crystals, 11, 2021
7Z6I
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BU of 7z6i by Molmil
Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21
分子名称: 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
著者Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2022-03-11
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
6RX2
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BU of 6rx2 by Molmil
Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-07
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
4P12
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BU of 4p12 by Molmil
Native Structure of the P domain from a GI.7 Norovirus variant.
分子名称: Major capsid protein
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-02-24
公開日2014-04-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6011 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
7Z9T
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BU of 7z9t by Molmil
Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide
著者Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2022-03-21
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
4ZHH
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BU of 4zhh by Molmil
Siderocalin-mediated recognition and cellular uptake of actinides
分子名称: CHLORIDE ION, GLYCEROL, N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide], ...
著者Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J.
登録日2015-04-24
公開日2015-08-05
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.
Proc.Natl.Acad.Sci.USA, 112, 2015
7YTH
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BU of 7yth by Molmil
Structure of OCPx1 from Nostoc flagelliforme CCNUN1
分子名称: Ketosteroid isomerase-related protein
著者Yang, Y.W, Liu, K, Chen, S.Z, Chen, M, Qiu, B.S.
登録日2022-08-14
公開日2023-06-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Functional specialization of expanded orange carotenoid protein paralogs in subaerial Nostoc species.
Plant Physiol., 192, 2023
4P25
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BU of 4p25 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA.
分子名称: Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
登録日2014-03-01
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4991 Å)
主引用文献Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
4ZLV
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BU of 4zlv by Molmil
Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with the Schiff base between PLP and Lys286
分子名称: DI(HYDROXYETHYL)ETHER, Ornithine aminotransferase, mitochondrial, ...
著者Filippova, E.V, Minasov, G, Flores, K, Van Le, H, Silverman, R.B, McLeod, R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-01
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with the Schiff base between PLP and Lys286
To Be Published
7YUA
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BU of 7yua by Molmil
Structural Insight into a Metal-Dependent Mutase MtdL Revealing an Arginine Residue Covalently Mediated Interconversion between Nucleotide-Based furanose and pyranose
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
著者Chi, C.B, Ma, M.
登録日2022-08-16
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insight into a Metal-Dependent Mutase Revealing an Arginine Residue-Covalently Mediated Interconversion between Nucleotide-Based Pyranose and Furanose.
Acs Catalysis, 13, 2023
7YV0
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BU of 7yv0 by Molmil
Structural Insight into a Metal-Dependent Mutase MtdL Revealing an Arginine Residue Covalently Mediated Interconversion between Nucleotide-Based furanose and pyranose
分子名称: SULFATE ION, Transglycosylse
著者Chi, C.B, Ma, M.
登録日2022-08-18
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural Insight into a Metal-Dependent Mutase Revealing an Arginine Residue-Covalently Mediated Interconversion between Nucleotide-Based Pyranose and Furanose.
Acs Catalysis, 13, 2023
6S39
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BU of 6s39 by Molmil
Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-06-24
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
7JMD
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BU of 7jmd by Molmil
Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 1
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-31
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
4ZNK
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BU of 4znk by Molmil
Thermus Phage P74-26 Large Terminase ATPase domain from (P 32 2 1 space group)
分子名称: Phage terminase large subunit, SULFATE ION
著者Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A.
登録日2015-05-04
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Structure and mechanism of the ATPase that powers viral genome packaging.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DKF
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BU of 5dkf by Molmil
Reaction of phosphorylated CheY with imidazole 3 of 3
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
著者Page, S, Silversmith, R.E, Bourret, R.B, Collins, E.J.
登録日2015-09-03
公開日2016-03-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction.
Biochemistry, 54, 2015

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