8I0M
 
 | | Structure of CDK6 in complex with inhibitor | | Descriptor: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | | Authors: | Jiang, C, Ye, Y, Huang, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7772 Å) | | Cite: | Structure of CDK6 in complex with inhibitor
To Be Published
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8HVP
 | | STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR | | Descriptor: | HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E) | | Authors: | Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A. | | Deposit date: | 1990-10-26 | | Release date: | 1993-10-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor.
Biochemistry, 30, 1991
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5M9V
 | | Human angiogenin PD/ALS variant R121C | | Descriptor: | Angiogenin, GLUTATHIONE, L(+)-TARTARIC ACID | | Authors: | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | | Deposit date: | 2016-11-02 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
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5CYJ
 | | X-ray structure of human RBPMS | | Descriptor: | RNA-binding protein with multiple splicing | | Authors: | Teplova, M, Farazi, T.A, Patel, D.J. | | Deposit date: | 2015-07-30 | | Release date: | 2015-09-30 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural basis underlying CAC RNA recognition by the RRM domain of dimeric RNA-binding protein RBPMS.
Q. Rev. Biophys., 49, 2016
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5MGS
 | | Human receptor NKR-P1 in deglycosylated form, extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor subfamily B member 1 | | Authors: | Skalova, T, Blaha, J, Stransky, J, Koval, T, Hasek, J, Yuguang, Z, Harlos, K, Vanek, O, Dohnalek, J. | | Deposit date: | 2016-11-22 | | Release date: | 2018-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the human NK cell NKR-P1:LLT1 receptor:ligand complex reveals clustering in the immune synapse.
Nat Commun, 13, 2022
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5D2C
 | | Reaction of phosphorylated CheY with imidazole 1 of 3 | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ... | | Authors: | Page, S, Silversmith, R.E, Bourret, R.B, Collins, E.J. | | Deposit date: | 2015-08-05 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Imidazole as a Small Molecule Analogue in Two-Component Signal Transduction.
Biochemistry, 54, 2015
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5D45
 | | Crystal Structure of FABP4 in complex with 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid | | Descriptor: | 3-(5-cyclopropyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | | Deposit date: | 2015-08-07 | | Release date: | 2016-06-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
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5D6U
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5MWQ
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5MNQ
 | | Cationic trypsin in complex with a derivative of N-amidinopiperidine | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.337 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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8JTS
 | | hOCT1 in complex with metformin in outward open conformation | | Descriptor: | Metformin, Solute carrier family 22 member 1 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.14 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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5MO0
 | | Neutron structure of cationic trypsin in complex with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.502 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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8JU0
 | | hOCT1 in complex with spironolactone in inward facing occluded conformation | | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-23 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTW
 | | hOCT1 in complex with nb5660 in inward facing partially open 1 conformation | | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTX
 | | hOCT1 in complex with nb5660 in inward facing fully open conformation | | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTZ
 | | hOCT1 in complex with spironolactone in outward facing partially occluded conformation | | Descriptor: | SPIRONOLACTONE, Solute carrier family 22 member 1 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTT
 | | hOCT1 in complex with metformin in outward occluded conformation | | Descriptor: | Metformin, Solute carrier family 22 member 1 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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5NMS
 | | Hsp21 dodecamer, structural model based on cryo-EM and homology modelling | | Descriptor: | 25.3 kDa heat shock protein, chloroplastic | | Authors: | Rutsdottir, G, Harmark, J, Koeck, P.J.B, Hebert, H, Soderberg, C.A.G, Emanuelsson, C. | | Deposit date: | 2017-04-07 | | Release date: | 2017-05-03 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Structural model of dodecameric heat-shock protein Hsp21: Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity.
J. Biol. Chem., 292, 2017
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5DG4
 | | Crystal structure of monomer human cellular retinol binding protein II-Y60L | | Descriptor: | ACETATE ION, Retinol-binding protein 2 | | Authors: | Assar, Z, Nossoni, Z, Wang, W, Gieger, J.H, Borhan, B. | | Deposit date: | 2015-08-27 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
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8OF5
 | | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Miles, J.A, Hammond, K.L.R, Bayliss, R. | | Deposit date: | 2023-03-14 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of Aurora A 122-403 C290A, N332A, Q335A, C393A bound to ADP
To Be Published
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8JTY
 | | hOCT1 in complex with nb5660 in inward facing partially open 2 conformation | | Descriptor: | Solute carrier family 22 member 1, nanobody 56 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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5D5F
 | | In meso in situ serial X-ray crystallography structure of lysozyme by bromine-SAD at 100 K | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2016-03-02 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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5N06
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8JTV
 | | hOCT1 in complex with metformin in inward occluded conformation | | Descriptor: | Metformin, Solute carrier family 22 member 1 | | Authors: | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | Deposit date: | 2023-06-22 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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5D78
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