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6EYO
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BU of 6eyo by Molmil
Structure of extended IgE-Fc in complex with two anti-IgE Fabs
Descriptor: 8D6 Fab heavy chain, 8D6 Fab light chain, Immunoglobulin heavy constant epsilon, ...
Authors:Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M.
Deposit date:2017-11-13
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody.
Sci Rep, 8, 2018
6F64
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BU of 6f64 by Molmil
Crystal structure of the SYCP1 C-terminal back-to-back assembly
Descriptor: ACETATE ION, Synaptonemal complex protein 1
Authors:Dunce, J.M, Millan, C, Uson, I, Davies, O.R.
Deposit date:2017-12-04
Release date:2018-06-06
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly.
Nat. Struct. Mol. Biol., 25, 2018
6F5P
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BU of 6f5p by Molmil
A mechanism for the activation of the influenza virus transcriptase
Descriptor: ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, DNA-directed RNA polymerase subunit, MAGNESIUM ION, ...
Authors:Serna Martin, I, Grimes, J.M.
Deposit date:2017-12-02
Release date:2018-09-19
Method:X-RAY DIFFRACTION (4.14 Å)
Cite:A Mechanism for the Activation of the Influenza Virus Transcriptase.
Mol. Cell, 70, 2018
6EAS
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BU of 6eas by Molmil
Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076
Descriptor: 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine, GLYCEROL, drought responsive inactive kinase 1
Authors:Aquino, B, Counago, R.M, Fala, A.M, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
Deposit date:2018-08-03
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal of pseudokinase DRIK1 with ENMD-2076
To be Published
6EH0
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BU of 6eh0 by Molmil
Apo crystal structure of the Protein-Kinase A catalytic subunit from Criteculus
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6EIM
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BU of 6eim by Molmil
Human STK10 bound to GW683134A
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 10, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide
Authors:Sorrell, F.J, Berger, B.-T, Salah, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
Deposit date:2017-09-19
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Human STK10 bound to GW683134
To Be Published
6CI5
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BU of 6ci5 by Molmil
Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis in complex with UDP-4,6-dideoxy-4-formamido-L-AltNAc and tetrahydrofolate
Descriptor: (2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
Authors:Reimer, J.M, Harb, I, Schmeing, T.M.
Deposit date:2018-02-23
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.00003052 Å)
Cite:Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
6CL3
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BU of 6cl3 by Molmil
LyeTxI-b, a synthetic peptide derived from Lycosa erythrognatha spider venom, shows potent antibiotic activity, in vitro and in vivo
Descriptor: Toxin LyeTx 1
Authors:de Lima, M.E, dos Reis, P.V, Resende, J.M, Verly, R.M.
Deposit date:2018-03-01
Release date:2018-05-30
Method:SOLUTION NMR
Cite:LyeTxI-b, a Synthetic Peptide Derived FromLycosa erythrognathaSpider Venom, Shows Potent Antibiotic Activityin Vitroandin Vivo.
Front Microbiol, 9, 2018
6CCF
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BU of 6ccf by Molmil
Crystal Structure of the Human CAMKK1A in complex with Hesperadin
Descriptor: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 1, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, ...
Authors:Santiago, A.S, Counago, R.M, dos Reis, C.V, Ramos, P.Z, Silva, P.N.B, Drewry, D, Elkins, J.M, Massirer, K.B, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC)
Deposit date:2018-02-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human CAMKK1A in complex with Hesperadin
To be Published
6EYN
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BU of 6eyn by Molmil
Structure of the 8D6 (anti-IgE) Fab
Descriptor: 1,2-ETHANEDIOL, 8D6 Fab heavy chain, 8D6 Fab light chain, ...
Authors:Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M.
Deposit date:2017-11-13
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody.
Sci Rep, 8, 2018
1RZ5
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BU of 1rz5 by Molmil
Di-haem Cytochrome c Peroxidase, Form OUT
Descriptor: CALCIUM ION, Cytochrome c peroxidase, HEME C
Authors:Dias, J.M, Alves, T, Bonifacio, C, Pereira, A.S, Bourgeois, D, Moura, I, Romao, M.J.
Deposit date:2003-12-24
Release date:2004-06-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the mechanism of Ca(2+) activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617.
Structure, 12, 2004
6ERU
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BU of 6eru by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp120
Descriptor: UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-10-19
Release date:2018-10-31
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
6E5V
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BU of 6e5v by Molmil
human mGlu8 receptor amino terminal domain in complex with (S)-3,4-Dicarboxyphenylglycine (DCPG)
Descriptor: 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 8
Authors:Chen, Q, Ho, J.D, Ashok, S, Vargas, M.C, Wang, J, Atwell, S, Bures, M, Schkeryantz, J.M, Monn, J.A, Hao, J.
Deposit date:2018-07-23
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis for ( S)-3,4-Dicarboxyphenylglycine (DCPG) As a Potent and Subtype Selective Agonist of the mGlu8Receptor.
J. Med. Chem., 61, 2018
6F63
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BU of 6f63 by Molmil
Crystal structure of the SYCP1 C-terminal back-to-back assembly
Descriptor: Synaptonemal complex protein 1
Authors:Dunce, J.M, Millan, C, Uson, I, Davies, O.R.
Deposit date:2017-12-04
Release date:2018-06-06
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly.
Nat. Struct. Mol. Biol., 25, 2018
6CQH
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BU of 6cqh by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-15
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N-propynyl-N-ethyl-dihydropteridine inhibitor
To Be Published
6CMM
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BU of 6cmm by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:dos Reis, C.V, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-05
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine inhibitor
To Be Published
6CPY
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BU of 6cpy by Molmil
Structure of apo GRMZM2G135359 pseudokinase
Descriptor: GRMZM2G135359 pseudokinase
Authors:Aquino, B, Counago, R.M, Godoi, P.H.C, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
Deposit date:2018-03-14
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of apo GRMZM2G135359 pseudokinase
To be Published
6CSW
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BU of 6csw by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
Descriptor: (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:dos Reis, C.V, de Souza, G.P, Counago, R.M, Chiodi, C.G, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2018-03-21
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Human vaccinia-related kinase bound to a N-methyl-N-propyl-dihydropteridine inhibitor
To Be Published
6F5X
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BU of 6f5x by Molmil
Crystal structure of the SYCP1 N-terminal head-to-head assembly in closed conformation
Descriptor: IODIDE ION, Synaptonemal complex protein 1, TRIETHYLENE GLYCOL
Authors:Ratcliff, M, Dunce, J.M, Davies, O.R.
Deposit date:2017-12-04
Release date:2018-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly.
Nat. Struct. Mol. Biol., 25, 2018
6FD3
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BU of 6fd3 by Molmil
Thiophosphorylated PAK3 kinase domain
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M.
Deposit date:2017-12-21
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis.
Biochem.J., 476, 2019
6E1J
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BU of 6e1j by Molmil
Crystal Structure of Methylthioalkylmalate Synthase (BjuMAM1.1) from Brassica juncea
Descriptor: 2-isopropylmalate synthase, A genome specific 1, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, ...
Authors:Lee, S.G, Jez, J.M.
Deposit date:2018-07-09
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Molecular Basis of the Evolution of Methylthioalkylmalate Synthase and the Diversity of Methionine-Derived Glucosinolates.
Plant Cell, 31, 2019
6E1Q
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BU of 6e1q by Molmil
AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB
Descriptor: (2,4-DICHLOROPHENOXY)ACETIC ACID, AtGH3.15 acyl acid amido synthetase, PHOSPHATE ION
Authors:Sharp, A.M, Lee, S.G, Jez, J.M.
Deposit date:2018-07-10
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Modification of auxinic phenoxyalkanoic acid herbicides by the acyl acid amido synthetase GH3.15 from Arabidopsis.
J. Biol. Chem., 293, 2018
6E3J
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BU of 6e3j by Molmil
Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F10
Descriptor: Bcl-2-related protein A1, SULFATE ION, peptide srt.F10
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-07-14
Release date:2018-10-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Peptide design by optimization on a data-parameterized protein interaction landscape.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E3I
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BU of 6e3i by Molmil
Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F4
Descriptor: Bcl-2-related protein A1, SULFATE ION, peptide srt.F4
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-07-14
Release date:2018-10-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Peptide design by optimization on a data-parameterized protein interaction landscape.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E3Y
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BU of 6e3y by Molmil
Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor
Descriptor: Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M.
Deposit date:2018-07-16
Release date:2018-09-19
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor.
Nature, 561, 2018

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数据于2024-06-26公开中

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