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5KBU
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BU of 5kbu by Molmil
Cryo-EM structure of GluA2-2xSTZ complex at 7.8 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
著者Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
登録日2016-06-03
公開日2016-07-13
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Elucidation of AMPA receptor-stargazin complexes by cryo-electron microscopy.
Science, 353, 2016
5LZK
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BU of 5lzk by Molmil
Structure of the domain of unknown function DUF1669 from human FAM83B
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B
著者Pinkas, D.M, Bufton, J.C, Williams, E.P, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2016-09-29
公開日2016-10-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure of the domain of unknown function DUF1669 from human FAM83B
To Be Published
5K0K
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434
分子名称: 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V.
登録日2016-05-17
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
5K0X
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Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541
分子名称: (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer
著者McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X.
登録日2016-05-17
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.231 Å)
主引用文献Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12, 2017
6H5W
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BU of 6h5w by Molmil
Crystal structure of human Angiotensin-1 converting enzyme C-domain in complex with Omapatrilat.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Cozier, G.E, Acharya, K.R.
登録日2018-07-25
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Molecular Basis for Multiple Omapatrilat Binding Sites within the ACE C-Domain: Implications for Drug Design.
J. Med. Chem., 61, 2018
5LVO
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BU of 5lvo by Molmil
Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket
分子名称: 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
登録日2016-09-14
公開日2016-10-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
6SD4
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BU of 6sd4 by Molmil
Structure of the RBM3/collar region of the Salmonella flagella MS-ring protein FliF with 34-fold symmetry applied
分子名称: Flagellar M-ring protein
著者Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M.
登録日2019-07-26
公開日2020-03-18
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation.
Nat Microbiol, 5, 2020
8TTU
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BU of 8ttu by Molmil
Structure of SNX27 FERM complexed with Fam21A repeat 19 (1261 - 1274)
分子名称: DI(HYDROXYETHYL)ETHER, Fam21A repeat 19 peptide, GLYCEROL, ...
著者Guo, Q, Chen, K.-E, Collins, B.M.
登録日2023-08-15
公開日2024-08-21
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
6MAV
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BU of 6mav by Molmil
Complex of tissue inhibitor of metalloproteinase-1 (TIMP-1) mutant L34G with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
分子名称: CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ...
著者Raeeszadeh-Sarmazdeh, M, Radisky, E.
登録日2018-08-28
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition.
J.Biol.Chem., 294, 2019
5LWZ
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BU of 5lwz by Molmil
Cys-Gly dipeptidase GliJ (space group C2)
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
著者Huber, E.M, Groll, M.
登録日2016-09-19
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
8TTV
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BU of 8ttv by Molmil
Structure of SNX27 FERM complexed with Fam21A repeat 20 (1289-1302)
分子名称: DI(HYDROXYETHYL)ETHER, Fam21A repeat 20 peptide, Sorting nexin-27
著者Guo, Q, Chen, K.-E, Collins, B.M.
登録日2023-08-15
公開日2024-08-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
8TTC
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BU of 8ttc by Molmil
Structure of retromer VPS29-VPS35 (483-796) complexed with Fam21A repeat 20 (1289-1302)
分子名称: ACETATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2023-08-13
公開日2024-08-21
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
5KE3
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BU of 5ke3 by Molmil
Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
分子名称: (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ...
著者Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2016-06-09
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a
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
5M33
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BU of 5m33 by Molmil
Structural tuning of CD81LEL (space group P21)
分子名称: 1,2-ETHANEDIOL, CD81 antigen
著者Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G.
登録日2016-10-14
公開日2016-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop.
Structure, 25, 2017
5M38
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BU of 5m38 by Molmil
Structure of the TagL peptidoglycan binding domain from EAEC T6SS
分子名称: OmpA family protein
著者Cambillau, C, Nguyen, V.S, Spinelli, S, Cascales, E.
登録日2016-10-14
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the TagL peptidoglycan binding domain from EAEC T6SS
To Be Published
8KAD
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BU of 8kad by Molmil
Crystal structure of an antibody light chain tetramer with 3D domain swapping
分子名称: Antibody light chain
著者Sakai, T, Mashima, T, Kobayashi, N, Ogata, H, Uda, T, Hifumi, E, Hirota, S.
登録日2023-08-02
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and thermodynamic insights into antibody light chain tetramer formation through 3D domain swapping.
Nat Commun, 14, 2023
5K3C
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BU of 5k3c by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase
著者Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
登録日2016-05-19
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5M3T
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BU of 5m3t by Molmil
Structural tuning of CD81LEL (space group P64)
分子名称: 1,2-ETHANEDIOL, CD81 antigen, CHLORIDE ION
著者Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G.
登録日2016-10-17
公開日2016-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop.
Structure, 25, 2017
5KEP
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BU of 5kep by Molmil
High resolution cryo-EM maps of Human Papillomavirus 16 reveal L2 location and heparin-induced conformational changes
分子名称: Major capsid protein L1
著者Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christensen, N.D, Hafenstein, S.
登録日2016-06-10
公開日2017-01-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryoelectron Microscopy Maps of Human Papillomavirus 16 Reveal L2 Densities and Heparin Binding Site.
Structure, 25, 2017
8TK3
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HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
分子名称: 6-(difluoromethyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
To Be Published
6LR6
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BU of 6lr6 by Molmil
The crystal structure of human cytoplasmic LRS
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
著者Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
登録日2020-01-15
公開日2020-03-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.009 Å)
主引用文献Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
6MEJ
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BU of 6mej by Molmil
Crystal structure of Hepatitis C virus envelope glycoprotein E2 ectodomain in complex with human antibodies HEPC3 and HEPC46
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, E2 glycoprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Flyak, A.I, Bjorkman, P.J.
登録日2018-09-06
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
8TK2
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HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3, ...
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) binding 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid
To Be Published
6SCI
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BU of 6sci by Molmil
Structure of AdhE form 1
分子名称: Aldehyde-alcohol dehydrogenase, FE (III) ION
著者Lovering, A.L, Bragginton, E.
登録日2019-07-24
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.
Acta Crystallogr.,Sect.F, 76, 2020

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