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5P75	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
5P7J	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	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	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	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
6U3G	Best fitting antiparallel model for Volume 2 of truncated dimeric Cytohesin-3 (Grp1; amino acids 14-399) Descriptor: Cytohesin-3, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE Authors: Das, S, Lambright, D.G. Deposit date: 2019-08-21 Release date: 2019-09-25 Last modified: 2023-11-29 Method: ELECTRON MICROSCOPY (53 Å) Cite: Structural Organization and Dynamics of Homodimeric Cytohesin Family Arf GTPase Exchange Factors in Solution and on Membranes. Structure, 27, 2019
7PIE	Protein kinase A catalytic subunit in complex with PKI5-24 and EN068 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. Deposit date: 2021-08-19 Release date: 2022-09-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.427 Å) Cite: Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
7PID	Protein kinase A catalytic subunit in complex with PKI5-24 and EN060 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. Deposit date: 2021-08-19 Release date: 2022-09-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.496 Å) Cite: Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
7PIF	Protein kinase A catalytic subunit in complex with PKI5-24 and EN086 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ... Authors: Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. Deposit date: 2021-08-19 Release date: 2022-09-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.395 Å) Cite: Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
7PIG	Protein kinase A catalytic subunit in complex with PKI5-24 and EN088 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. Deposit date: 2021-08-19 Release date: 2022-09-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.553 Å) Cite: Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
7PIH	Protein kinase A catalytic subunit in complex with PKI5-24 and EN093 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one, CHLORIDE ION, ... Authors: Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. Deposit date: 2021-08-19 Release date: 2022-09-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.374 Å) Cite: Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
7PNS	Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. Deposit date: 2021-09-07 Release date: 2022-09-21 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.855 Å) Cite: Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces. J.Med.Chem., 65, 2022
7QHB	Active state of GluA1/2 in complex with TARP gamma 8, L-glutamate and CTZ Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CYCLOTHIAZIDE, ... Authors: Herguedas, B, Kohegyi, B, Zhang, D, Greger, I.H. Deposit date: 2021-12-11 Release date: 2022-02-23 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor. Nat Commun, 13, 2022
7QHH	Desensitized state of GluA1/2 AMPA receptor in complex with TARP-gamma 8 (TMD-LBD) Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, GLUTAMIC ACID, ... Authors: Herguedas, B, Kohegyi, B, Dohrke, J.N, Watson, J.F, Zhang, D, Ho, H, Shaikh, S, Lape, R, Krieger, J.M, Greger, I.H. Deposit date: 2021-12-12 Release date: 2022-02-23 Method: ELECTRON MICROSCOPY (3.6 Å) Cite: Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor. Nat Commun, 13, 2022
5OYZ	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 10 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 (1.487 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZ9	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 20 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 (1.609 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZL	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 32 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 (1.74 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZW	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 43 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 (1.54 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P09	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 56 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 (1.609 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P0L	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 68 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 (1.508 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P0Z	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 82 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 (1.26 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P1D	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 96 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 (1.279 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P1R	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 110 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
5P24	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 122 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
5P2I	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 136 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 (1.428 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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