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5P2X
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BU of 5p2x by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 150
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZC
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BU of 5ozc by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 23
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3C
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BU of 5p3c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 165
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.266 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
8G1Q
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BU of 8g1q by Molmil
Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB
Descriptor: DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ...
Authors:Ghimire Rijal, S, Wurz, R.P, Vaish, A.
Deposit date:2023-02-02
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation.
Nat Commun, 14, 2023
5P3R
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BU of 5p3r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 180
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P45
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BU of 5p45 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 194
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.189 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
8G1P
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BU of 8g1p by Molmil
Co-crystal structure of Compound 11 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
Descriptor: (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Ghimire Rijal, S, Wurz, R.P, Vaish, A.
Deposit date:2023-02-02
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation.
Nat Commun, 14, 2023
5P4G
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BU of 5p4g by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 205
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.159 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6M92
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BU of 6m92 by Molmil
Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex
Descriptor: 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ...
Authors:Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J.
Deposit date:2018-08-22
Release date:2019-04-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
5P4U
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BU of 5p4u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 219
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.319 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6F08
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BU of 6f08 by Molmil
14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1)
Descriptor: 14-3-3 protein zeta/delta, PENTAETHYLENE GLYCOL, Son of sevenless homolog 1
Authors:Ballone, A, Centorrino, F, Ottmann, C, Guo, S, Leysen, S.
Deposit date:2017-11-17
Release date:2018-02-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1).
J. Struct. Biol., 202, 2018
7MP8
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BU of 7mp8 by Molmil
Crystal structure of the cytosolic domain of Tribolium castaneum PINK1 in the non-phosphorylated state
Descriptor: SULFATE ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein
Authors:Rasool, S, Veyron, S, Trempe, J.F.
Deposit date:2021-05-04
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanism of PINK1 activation by autophosphorylation and insights into assembly on the TOM complex.
Mol.Cell, 82, 2022
5P5A
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BU of 5p5a by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 235
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6F0Y
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BU of 6f0y by Molmil
Rtt109 peptide bound to Asf1
Descriptor: Histone chaperone ASF1, histone acetyltransferase Rtt109 C-terminus
Authors:Lercher, L, Kirkpatrick, J.P, Carlomagno, T.
Deposit date:2017-11-21
Release date:2017-12-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of the Asf1-Rtt109 interaction and its role in histone acetylation.
Nucleic Acids Res., 46, 2018
5P5O
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BU of 5p5o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 249
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P64
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BU of 5p64 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 265
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.069 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
7MP9
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BU of 7mp9 by Molmil
Crystal structure of the cytosolic domain of Tribolium castaneum PINK1 phosphorylated at Ser205 in complex with ADP analog
Descriptor: AMP PHOSPHORAMIDATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Rasool, S, Veyron, S, Trempe, J.F.
Deposit date:2021-05-04
Release date:2021-12-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of PINK1 activation by autophosphorylation and insights into assembly on the TOM complex.
Mol.Cell, 82, 2022
5P6L
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BU of 5p6l by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 282
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6AVU
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BU of 6avu by Molmil
Human alpha-V beta-3 Integrin (open conformation) in complex with the therapeutic antibody LM609
Descriptor: Fab LM609 heavy chain, Fab LM609 light chain, Integrin alpha-V, ...
Authors:Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D.
Deposit date:2017-09-04
Release date:2017-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (35 Å)
Cite:The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance.
Structure, 25, 2017
5P6Z
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BU of 5p6z by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 296
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.279 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
Descriptor: DUF2384 domain-containing protein, RES domain-containing protein
Authors:Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
Deposit date:2022-09-12
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
6I57
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BU of 6i57 by Molmil
NMR structure of the third TPR domain of the human SPAG1 protein
Descriptor: Sperm-associated antigen 1
Authors:Chagot, M.E, Quinternet, M.
Deposit date:2018-11-13
Release date:2019-06-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Binding properties of the quaternary assembly protein SPAG1.
Biochem.J., 476, 2019
5P7D
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BU of 5p7d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 310
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.169 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7T
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BU of 5p7t by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 326
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.459 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
6MCP
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BU of 6mcp by Molmil
L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LegK7, ...
Authors:Beyrakhova, K.A, Xu, C, Boniecki, M.T, Cygler, M.
Deposit date:2018-09-01
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:TheLegionellakinase LegK7 exploits the Hippo pathway scaffold protein MOB1A for allostery and substrate phosphorylation.
Proc.Natl.Acad.Sci.USA, 117, 2020

226707

数据于2024-10-30公开中

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