6E80
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6E84
| Crystal structure of the Corn aptamer in complex with TO | Descriptor: | 1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium, POTASSIUM ION, RNA (36-MER) | Authors: | Sjekloca, L, Ferre-D'Amare, A.R. | Deposit date: | 2018-07-27 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Binding between G Quadruplexes at the Homodimer Interface of the Corn RNA Aptamer Strongly Activates Thioflavin T Fluorescence. Cell Chem Biol, 26, 2019
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8E74
| Mycobacterium tuberculosis RNAP paused elongation complex with NusG transcription factor | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2022-08-23 | Release date: | 2023-03-22 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
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8G6Z
| JAK2 crystal structure in complex with Compound 13 | Descriptor: | (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | Authors: | Miller, S.T, Ellis, D.A. | Deposit date: | 2023-02-16 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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8BLW
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8SL0
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8BN0
| Bacteroides thetaiotaomicron surface protein BT1954 bound to | Descriptor: | CHLORIDE ION, COB(II)INAMIDE, CYANIDE ION, ... | Authors: | Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2022-11-11 | Release date: | 2023-08-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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7R0U
| Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425) in complex with 3'-phosphoadenosine 5-phosphate and vanillin. | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ADENOSINE-3'-5'-DIPHOSPHATE, AGAP001425-PA, ... | Authors: | Esposito Verza, A, Miggiano, R, Rizzi, R, Rossi, F. | Deposit date: | 2022-02-02 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues. Curr Res Struct Biol, 4, 2022
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7R0O
| Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425). | Descriptor: | AGAP001425-PA, CHLORIDE ION, GLYCEROL | Authors: | Esposito Verza, A, Miggiano, R, Rizzi, R, Rossi, F. | Deposit date: | 2022-02-02 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues. Curr Res Struct Biol, 4, 2022
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8G8O
| The crystal structure of JAK2 in complex with Compound 31 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Tyrosine-protein kinase JAK2, ... | Authors: | Miller, S.T, Ellis, D.A. | Deposit date: | 2023-02-18 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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8DSU
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8E79
| Mycobacterium tuberculosis RNAP paused elongation complex with Escherichia coli NusG transcription factor | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2022-08-23 | Release date: | 2023-03-22 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
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6WPC
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7MW1
| Crystal structure of the Homo sapiens NUP93-NUP53 complex (NUP93 residues 174-819; NUP53 residues 84-150) | Descriptor: | Nuclear pore complex protein Nup93, Nucleoporin Nup35 | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-05-15 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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8BO4
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | Descriptor: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8E8M
| Mycobacterium tuberculosis RNAP paused elongation complex | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2022-08-25 | Release date: | 2023-03-22 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
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6OEF
| PolyAla Model of the O-layer from the Type 4 Secretion System of H. pylori | Descriptor: | PolyAla Model of OMCC O-Layer | Authors: | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | Deposit date: | 2019-03-27 | Release date: | 2019-07-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the Helicobacter pylori Cag type IV secretion system. Elife, 8, 2019
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8BO3
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian | Descriptor: | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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6TWQ
| MAGI1_2 complexed with a 16E6 peptide | Descriptor: | CALCIUM ION, CITRIC ACID, GLYCEROL, ... | Authors: | Gogl, G, Cousido-Siah, A, Trave, G. | Deposit date: | 2020-01-13 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study. Structure, 28, 2020
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8BO5
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 | Descriptor: | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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6UI3
| GH5-4 broad specificity endoglucanase from Clostridum cellulovorans | Descriptor: | 1,2-ETHANEDIOL, Cellulase | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2019-09-30 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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8BO6
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 | Descriptor: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ... | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8E7N
| Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, GLYCEROL, ... | Authors: | Shaqra, A.M, Schiffer, C.A. | Deposit date: | 2022-08-24 | Release date: | 2023-03-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses. Viruses, 15, 2023
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8G8X
| X-ray co-crystal structure of compound 27 in with complex JAK2 | Descriptor: | 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol, Tyrosine-protein kinase JAK2 | Authors: | Miller, S.T, Ellis, D.A. | Deposit date: | 2023-02-20 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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8E7C
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