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5P48
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BU of 5p48 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 197
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 (1.17 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4L
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BU of 5p4l by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 210
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 (1.079 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P50
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BU of 5p50 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 225
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 (1.119 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5I
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BU of 5p5i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 243
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 (1.18 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6K
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BU of 5p6k by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 281
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 (1.607 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5V
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BU of 5p5v by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 256
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 (1.059 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6B
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BU of 5p6b by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 272
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 (1.469 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6R
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BU of 5p6r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 288
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 (1.269 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P75
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BU of 5p75 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 302
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 (1.431 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P70
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BU of 5p70 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 297
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 (1.019 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7M
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BU of 5p7m by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 319
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 (1.329 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7W
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BU of 5p7w by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 329
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 (1.36 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P89
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BU of 5p89 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 342
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 (1.269 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7J
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BU of 5p7j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 316
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 (1.307 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7U
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BU of 5p7u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 327
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 (1.098 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8D
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BU of 5p8d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 346
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 (1.179 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8S
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BU of 5p8s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 361
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 (1.109 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8R
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BU of 5p8r by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 360
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 (1.07 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
8FBF
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BU of 8fbf by Molmil
Crystal structure of OrfX2 from Clostridium botulinum E1
Descriptor: Neurotoxin complex component Orf-X2, SULFATE ION
Authors:Lam, K.H, Gao, L.
Deposit date:2022-11-29
Release date:2022-12-21
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
8FBD
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BU of 8fbd by Molmil
Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1
Descriptor: ACETATE ION, Neurotoxin complex component Orf-X1, Neurotoxin complex component Orf-X3
Authors:Liu, S, Gao, L.
Deposit date:2022-11-29
Release date:2022-12-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
8FBE
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BU of 8fbe by Molmil
Crystal structure of OrfX1 from Clostridium botulinum E1
Descriptor: Neurotoxin complex component Orf-X1
Authors:Liu, S, Gao, L.
Deposit date:2022-11-29
Release date:2022-12-21
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1.
Febs Lett., 597, 2023
5ML5
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BU of 5ml5 by Molmil
Human p38alpha MAPK in complex with imidazolyl pyridine inhibitor 11b
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Buehrmann, M, Rauh, D.
Deposit date:2016-12-06
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
5MQV
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BU of 5mqv by Molmil
Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide
Descriptor: 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide, Casein kinase I isoform delta, PHOSPHATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2016-12-20
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
5FR2
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BU of 5fr2 by Molmil
Farnesylated RhoA-GDP in complex with RhoGDI-alpha, lysine acetylated at K178
Descriptor: FARNESYL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kuhlmann, N, Wroblowski, S, Knyphausen, P, de Boor, S, Brenig, J, Zienert, A.Y, Meyer-Teschendorf, K, Praefcke, G.J.K, Nolte, H, Krueger, M, Schacherl, M, Baumann, U, James, L.C, Chin, J.W, Lammers, M.
Deposit date:2015-12-15
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural and Mechanistic Insights Into the Regulation of the Fundamental Rho-Regulator Rhogdi Alpha by Lysine Acetylation.
J.Biol.Chem., 291, 2016
6SPX
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BU of 6spx by Molmil
Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502
Descriptor: 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha
Authors:Niefind, K, Schnitzler, A.
Deposit date:2019-09-03
Release date:2020-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020

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