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5OUS
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BU of 5ous by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-08-24
Release date:2018-09-05
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5P4F
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BU of 5p4f by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 204
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 (1.409 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P4T
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BU of 5p4t by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 218
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 (1.699 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P58
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BU of 5p58 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 233
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 (1.12 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P5N
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BU of 5p5n by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 248
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 (1.689 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P62
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BU of 5p62 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 263
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 (1.278 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P6G
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BU of 5p6g by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 277
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 (1.088 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
437D
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BU of 437d by Molmil
CRYSTAL STRUCTURE OF AN RNA PSEUDOKNOT FROM BEET WESTERN YELLOW VIRUS INVOLVED IN RIBOSOMAL FRAMESHIFTING
Descriptor: MAGNESIUM ION, RNA PSEUDOKNOT, SODIUM ION
Authors:Su, L, Chen, L, Egli, M, Berger, J.M, Rich, A.
Deposit date:1998-11-24
Release date:1998-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minor groove RNA triplex in the crystal structure of a ribosomal frameshifting viral pseudoknot.
Nat.Struct.Biol., 6, 1999
5P6W
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BU of 5p6w by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 293
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 (1.608 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7C
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BU of 5p7c by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 309
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
5P7S
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BU of 5p7s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 325
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 (1.189 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P88
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BU of 5p88 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 341
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 (1.219 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8O
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BU of 5p8o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 357
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 (1.477 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZX
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BU of 5ozx by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 44
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 (1.484 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0A
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BU of 5p0a by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 57
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 (1.818 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0N
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BU of 5p0n by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 70
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 (1.138 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P11
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BU of 5p11 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 84
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 (1.38 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
7RAJ
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BU of 7raj by Molmil
Structure of PfCSP peptide 21 with antibody iGL-CIS43.D3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP-PRO-ASN-ALA-ASN, ZINC ION, ...
Authors:Tripathi, P, Kwong, P.D.
Deposit date:2021-07-01
Release date:2021-12-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
5P1E
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BU of 5p1e by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 97
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 (1.589 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P1S
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BU of 5p1s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 111
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 (1.319 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P25
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BU of 5p25 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 123
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 (1.259 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2J
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BU of 5p2j by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 137
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 (1.559 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P2Y
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BU of 5p2y by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 151
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 (1.639 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P3E
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BU of 5p3e by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 167
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 (1.17 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
4A5S
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BU of 4a5s by Molmil
CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, ...
Authors:Ostermann, N, Kroemer, M, Zink, F, Gerhartz, B, Sutton, J.M, Clark, D.E, Dunsdon, S.J, Fenton, G, Fillmore, A, Harris, N.V, Higgs, C, Hurley, C.A, Krintel, S.L, MacKenzie, R.E, Duttaroy, A, Gangl, E, Maniara, W, Sedrani, R, Namoto, K, Sirockin, F, Trappe, J, Hassiepen, U, Baeschlin, D.K.
Deposit date:2011-10-28
Release date:2012-02-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes.
Bioorg.Med.Chem.Lett., 22, 2012

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数据于2024-10-30公开中

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