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4XK9
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BU of 4xk9 by Molmil
Crystal structure of A-AChBP in complex with pinnatoxin G
Descriptor: CHLORIDE ION, Pinnatoxin G, Soluble acetylcholine receptor
Authors:Bourne, Y, Sulzenbacher, G, Marchot, P.
Deposit date:2015-01-10
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Marine Macrocyclic Imines, Pinnatoxins A and G: Structural Determinants and Functional Properties to Distinguish Neuronal alpha 7 from Muscle alpha 12 beta gamma delta nAChRs.
Structure, 23, 2015
4XL1
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BU of 4xl1 by Molmil
Complex of Notch1 (EGF11-13) bound to Delta-like 4 (N-EGF1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Luca, V.C, Jude, K.M, Garcia, K.C.
Deposit date:2015-01-13
Release date:2015-03-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural biology. Structural basis for Notch1 engagement of Delta-like 4.
Science, 347, 2015
4XLW
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BU of 4xlw by Molmil
Complex of Notch1 (EGF11-13) bound to Delta-like 4 (N-EGF2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Delta-like protein, ...
Authors:Luca, V.C, Jude, K.M, Garcia, K.C.
Deposit date:2015-01-13
Release date:2015-03-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Structural biology. Structural basis for Notch1 engagement of Delta-like 4.
Science, 347, 2015
5EQ6
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BU of 5eq6 by Molmil
Pseudomonas aeruginosa PilM bound to AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type 4 fimbrial biogenesis protein PilM
Authors:McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L.
Deposit date:2015-11-12
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
3NO0
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BU of 3no0 by Molmil
Aquifex aeolicus type IIA topoisomerase C-terminal domain
Descriptor: DNA gyrase subunit A, GLYCEROL, NITRATE ION
Authors:Tretter, E.M, Lerman, J.C, Berger, J.M.
Deposit date:2010-06-24
Release date:2010-12-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3004 Å)
Cite:A naturally chimeric type IIA topoisomerase in Aquifex aeolicus highlights an evolutionary path for the emergence of functional paralogs.
Proc.Natl.Acad.Sci.USA, 107, 2010
3NY1
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BU of 3ny1 by Molmil
Structure of the ubr-box of the UBR1 ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase UBR1, ZINC ION
Authors:Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
5EOX
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BU of 5eox by Molmil
Pseudomonas aeruginosa PilM bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type 4 fimbrial biogenesis protein PilM
Authors:McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L.
Deposit date:2015-11-10
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
3EAX
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BU of 3eax by Molmil
Crystal structure PTP1B complex with small molecule compound LZP-6
Descriptor: 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1
Authors:Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q.
Deposit date:2008-08-26
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
3O32
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BU of 3o32 by Molmil
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol
Descriptor: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, 3,5-dichlorobenzene-1,2-diol, Chlorocatechol 1,2-dioxygenase, ...
Authors:Ferraroni, M, Briganti, F, Kolomytseva, M, Golovleva, L.
Deposit date:2010-07-23
Release date:2011-08-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
3O5U
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BU of 3o5u by Molmil
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate
Descriptor: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ...
Authors:Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L.
Deposit date:2010-07-28
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
2M1W
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BU of 2m1w by Molmil
TICAM-2 TIR domain
Descriptor: TIR domain-containing adapter molecule 2
Authors:Enokizono, Y, Kumeta, H, Funami, K, Horiuchi, M, Sarmiento, J, Yamashita, K, Standley, D.M, Matsumoto, M, Seya, T, Inagaki, F.
Deposit date:2012-12-07
Release date:2014-01-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures and interface mapping of the TIR domain-containing adaptor molecules involved in interferon signaling.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EQU
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BU of 4equ by Molmil
Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7
Descriptor: CALCIUM ION, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide, PENTAETHYLENE GLYCOL, ...
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2012-04-19
Release date:2012-11-07
Last modified:2012-12-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity-Based Probes Based on Type II Kinase Inhibitors.
J.Am.Chem.Soc., 134, 2012
6ZWT
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BU of 6zwt by Molmil
Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A.
Deposit date:2020-07-28
Release date:2021-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis.
Virulence, 13, 2022
5XTZ
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BU of 5xtz by Molmil
Crystal structure of GAS41 YEATS bound to H3K27ac peptide
Descriptor: ACETATE ION, THR-LYS-ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, YEATS domain-containing protein 4
Authors:Li, H.T, Zhao, D.
Deposit date:2017-06-21
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Gas41 links histone acetylation to H2A.Z deposition and maintenance of embryonic stem cell identity.
Cell Discov, 4, 2018
2M6T
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BU of 2m6t by Molmil
NMR solution structure ensemble of 3-4D mutant domain 11 IGF2R
Descriptor: Insulin-like growth factor 2 receptor variant
Authors:Strickland, M, Williams, C, Richards, E, Minnall, L, Crump, M.P, Frago, S, Hughes, J, Garner, L, Hoppe, H, Rezgui, D, Zaccheo, O.J, Prince, S.N, Hassan, A.B, Whittaker, S.
Deposit date:2013-04-09
Release date:2014-10-15
Last modified:2016-06-01
Method:SOLUTION NMR
Cite:Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
2LWW
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BU of 2lww by Molmil
NMR structure of RelA-TAD/CBP-TAZ1 complex
Descriptor: CREB-binding protein, Nuclear transcription factor RelA, ZINC ION
Authors:Mukherjee, S.P, Ghosh, G, Wright, P.E.
Deposit date:2012-08-07
Release date:2013-09-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Analysis of the RelA:CBP/p300 Interaction Reveals Its Involvement in NF-kappa B-Driven Transcription.
Plos Biol., 11, 2013
4Y21
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BU of 4y21 by Molmil
Crystal Structure of Munc13-1 MUN domain
Descriptor: Protein unc-13 homolog A
Authors:Yang, X.Y, Wang, S, Sheng, Y, Zhang, M, Zou, W.J, Wu, L.J, Kang, L.J, Rizo, J, Zhang, R.G, Xu, T, Ma, C.
Deposit date:2015-02-09
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Syntaxin opening by the MUN domain underlies the function of Munc13 in synaptic-vesicle priming.
Nat.Struct.Mol.Biol., 22, 2015
4E96
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BU of 4e96 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1
Descriptor: 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC)
Deposit date:2012-03-20
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
J.Med.Chem., 55, 2012
3EB5
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BU of 3eb5 by Molmil
Structure of the cIAP2 RING domain
Descriptor: Baculoviral IAP repeat-containing protein 3, SODIUM ION, ZINC ION
Authors:Mace, P.D, Linke, K, Smith, C.A, Day, C.L.
Deposit date:2008-08-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the cIAP2 RING domain reveal conformational changes associated with ubiquitin-conjugating enzyme (E2) recruitment.
J.Biol.Chem., 283, 2008
2LZ6
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BU of 2lz6 by Molmil
Distinct ubiquitin binding modes exhibited by sh3 domains: molecular determinants and functional implications
Descriptor: CD2-associated protein, Ubiquitin
Authors:Ortega-Roldan, J, Azuaga, A, Blackledge, M, Van Nuland, N.
Deposit date:2012-09-24
Release date:2013-10-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Distinct Ubiquitin Binding Modes Exhibited by SH3 Domains: Molecular Determinants and Functional Implications.
Plos One, 8, 2013
4Y0J
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BU of 4y0j by Molmil
H/D exchanged human carbonic anhydrase II pH 6 room temperature neutron crystal structure.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z.
Deposit date:2015-02-06
Release date:2015-04-22
Last modified:2024-01-10
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015
3ODT
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BU of 3odt by Molmil
Crystal structure of WD40 beta propeller domain of Doa1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Protein DOA1
Authors:Pashkova, N, Gakhar, L, Winistorfer, S.C, Yu, L, Ramaswamy, S, Piper, R.C.
Deposit date:2010-08-11
Release date:2010-12-01
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:WD40 Repeat Propellers Define a Ubiquitin-Binding Domain that Regulates Turnover of F Box Proteins.
Mol.Cell, 40, 2010
3O6J
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BU of 3o6j by Molmil
Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with hydroxyquinol
Descriptor: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, CHLORIDE ION, Chlorocatechol 1,2-dioxygenase, ...
Authors:Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L.
Deposit date:2010-07-29
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
5Y28
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BU of 5y28 by Molmil
Crystal structure of H. pylori HtrA with PDZ2 deletion
Descriptor: 1,2-ETHANEDIOL, Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK-UNK
Authors:Zhang, Z, Huang, Q, Tao, X.
Deposit date:2017-07-24
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.08606815 Å)
Cite:The unique trimeric assembly of the virulence factor HtrA fromHelicobacter pylorioccurs via N-terminal domain swapping.
J.Biol.Chem., 294, 2019
4XHE
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BU of 4xhe by Molmil
Crystal Structure of A-AChBP in complex with pinnatoxin A
Descriptor: CALCIUM ION, CHLORIDE ION, Pinnatoxin A, ...
Authors:Bourne, Y, Sulzenbacher, G, Marchot, P.
Deposit date:2015-01-05
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Marine Macrocyclic Imines, Pinnatoxins A and G: Structural Determinants and Functional Properties to Distinguish Neuronal alpha 7 from Muscle alpha 12 beta gamma delta nAChRs.
Structure, 23, 2015

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