5WNF
 
 | | X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR | | Descriptor: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide, GLYCEROL, Rho-associated protein kinase 1 | | Authors: | Li, X. | | Deposit date: | 2017-07-31 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Novel mechanism of Rho kinase selectivity: beyond the ATP pocket
To Be Published
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6QP8
 | | Drosophila Semaphorin 2b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ... | | Authors: | Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y. | | Deposit date: | 2019-02-13 | | Release date: | 2019-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
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5WNH
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6QP9
 | | Drosophila Semaphorin 1a, extracellular domains 1-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Semaphorin-1A | | Authors: | Rozbesky, D, Robinson, R.A, Harlos, K, Siebold, C, Jones, E.Y. | | Deposit date: | 2019-02-13 | | Release date: | 2019-08-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
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7EDD
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1TBZ
 | | HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN | | Descriptor: | ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ... | | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1998-02-05 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
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4XW0
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4XW1
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3RQR
 | | Crystal structure of the RYR domain of the rabbit ryanodine receptor | | Descriptor: | (UNK)(UNK)(UNK)(UNK), Ryanodine receptor 1 | | Authors: | Nair, U.B, Li, W, Dong, A, Walker, J.R, Gramolini, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-04-28 | | Release date: | 2011-06-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural determination of the phosphorylation domain of the ryanodine receptor.
Febs J., 279, 2012
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4X61
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM | | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | | Authors: | Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
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6FPU
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3aS,5aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nguyen, A, Heine, A, Klebe, G. | | Deposit date: | 2018-02-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase.
Chemistry, 24, 2018
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4X60
 | | Crystal structure of PRMT5:MEP50 with EPZ015666 and sinefungin | | Descriptor: | GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ... | | Authors: | Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-06 | | Release date: | 2015-04-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
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3HXO
 | | Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer ARC1172, an Inhibitor of VWF-Platelet Binding | | Descriptor: | Aptamer ARC1172, von Willebrand factor | | Authors: | Huang, R.H, Sadler, J.E, Fremont, D.H, Diener, J.L, Schaub, R.G. | | Deposit date: | 2009-06-21 | | Release date: | 2009-11-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A structural explanation for the antithrombotic activity of ARC1172, a DNA aptamer that binds von Willebrand factor domain A1.
Structure, 17, 2009
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6FKK
 | | Drosophila Semaphorin 1b, extracellular domains 1-2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MIP07328p, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rozbesky, D, Harlos, K, Jones, E.Y. | | Deposit date: | 2018-01-24 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
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6FMN
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nguyen, A, Heine, A, Klebe, G. | | Deposit date: | 2018-02-01 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase.
Chemistry, 24, 2018
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3HXQ
 | | Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer ARC1172, an Inhibitor of VWF-Platelet Binding | | Descriptor: | Aptamer ARC1172, von Willebrand Factor | | Authors: | Huang, R.H, Sadler, J.E, Fremont, D.H, Diener, J.L, Schaub, R.G. | | Deposit date: | 2009-06-21 | | Release date: | 2009-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.694 Å) | | Cite: | A structural explanation for the antithrombotic activity of ARC1172, a DNA aptamer that binds von Willebrand factor domain A1.
Structure, 17, 2009
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7L7F
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7L7K
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6HV2
 | | MMP-13 in complex with the peptide IMISF | | Descriptor: | CALCIUM ION, Collagenase 3, GLYCEROL, ... | | Authors: | Mittl, P, Riedl, R, Hohl, D. | | Deposit date: | 2018-10-10 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.709 Å) | | Cite: | Drug Design Inspired by Nature: Crystallographic Detection of an Auto-Tailored Protease Inhibitor Template.
Angew.Chem.Int.Ed.Engl., 58, 2019
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5LYV
 | | The crystal structure of 7SK 5'-hairpin - Osmium derivative | | Descriptor: | 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.G, Pasquali, S, Dock-Bregeon, A.-C. | | Deposit date: | 2016-09-28 | | Release date: | 2017-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK.
Nucleic Acids Res., 45, 2017
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6VC9
 | | TB19 complex | | Descriptor: | 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ... | | Authors: | Zhou, Y.F, Lord, D.M. | | Deposit date: | 2019-12-20 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
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5LYS
 | | The crystal structure of 7SK 5'-hairpin - Gold derivative | | Descriptor: | 7SK RNA, GOLD ION, MAGNESIUM ION, ... | | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.G, Pasquali, S, Dock-Bregeon, A.-C. | | Deposit date: | 2016-09-28 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK.
Nucleic Acids Res., 45, 2017
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5N4A
 | | Crystal structure of Chlamydomonas IFT80 | | Descriptor: | GLYCEROL, Intraflagellar transport protein 80, OXALATE ION | | Authors: | Taschner, M, Mourao, A. | | Deposit date: | 2017-02-10 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of intraflagellar transport protein 80 reveals a homo-dimer required for ciliogenesis.
Elife, 7, 2018
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5LYU
 | | The native crystal structure of 7SK 5'-hairpin | | Descriptor: | 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Martinez-Zapien, D, Legrand, P, McEwen, A.C, Pasquali, S, Dock-Bregeon, A.-C. | | Deposit date: | 2016-09-28 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of the 5 functional domain of the transcription riboregulator 7SK.
Nucleic Acids Res., 45, 2017
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6VCA
 | | TB38 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, ... | | Authors: | Zhou, Y.F, Lord, D.M. | | Deposit date: | 2019-12-20 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.73 Å) | | Cite: | A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
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