4EZ5
 
 | | CDK6 (monomeric) in complex with inhibitor | | Descriptor: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | | Authors: | Chopra, R, Xu, M. | | Deposit date: | 2012-05-02 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
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7ARO
 | | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | | Descriptor: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.119 Å) | | Cite: | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
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6GPX
 | | CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 | | Descriptor: | C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, OLEIC ACID, ZINC ION, ... | | Authors: | Pautsch, A, Schnapp, G, Cheng, R, Apel, A. | | Deposit date: | 2018-06-07 | | Release date: | 2019-01-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
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6TZN
 | | Structure of S. pombe telomerase accessory protein Pof8 C-terminal domain | | Descriptor: | NITRATE ION, Protein pof8 | | Authors: | Basu, R.S, Cascio, D, Eichhorn, C.D, Feigon, J. | | Deposit date: | 2019-08-12 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of S. pombe telomerase protein Pof8 C-terminal domain is an xRRM conserved among LARP7 proteins.
Rna Biol., 18, 2021
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9CSI
 | | A. baumannii MsbA Bound to Cerastecin Compound 5 | | Descriptor: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ... | | Authors: | Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M. | | Deposit date: | 2024-07-23 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
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8HSB
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4WXR
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4WXP
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6O6M
 | | The Structure of EgtB (Cabther) | | Descriptor: | EgtB (Cabther), FE (III) ION, GLYCEROL | | Authors: | Irani, S, Zhang, Y. | | Deposit date: | 2019-03-07 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
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5NM5
 | | Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography | | Descriptor: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | | Deposit date: | 2017-04-05 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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5NQT
 | | Tubulin Darpin room-temperature structure determined by serial millisecond crystallography | | Descriptor: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | | Deposit date: | 2017-04-21 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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5O5W
 | | Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography | | Descriptor: | (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Steffen, B, Weinert, T, Ermler, U, Standfuss, J. | | Deposit date: | 2017-06-02 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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5NQU
 | | Tubulin Darpin cryo structure | | Descriptor: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | | Deposit date: | 2017-04-21 | | Release date: | 2017-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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5NJM
 | | Lysozyme room-temperature structure determined by serial millisecond crystallography | | Descriptor: | Lysozyme C | | Authors: | Weinert, T, Vera, L, Marsh, M, James, D, Gashi, D, Nogly, P, Jaeger, K, Standfuss, J. | | Deposit date: | 2017-03-29 | | Release date: | 2017-09-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
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8H0J
 | | Annexin A5 mutant | | Descriptor: | Annexin A5, CALCIUM ION | | Authors: | Hua, Z.C, Tang, W. | | Deposit date: | 2022-09-29 | | Release date: | 2023-10-04 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | A novel annexin dimer targets microglial phagocytosis of astrocytes to protect the brain-blood barrier after cerebral ischemia.
Acta Pharmacol.Sin., 46, 2025
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8GYC
 | | Annexin A5 protein dimer mutant | | Descriptor: | Annexin A5, CALCIUM ION | | Authors: | Hua, Z.C, Tang, W. | | Deposit date: | 2022-09-22 | | Release date: | 2023-10-18 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel annexin dimer targets microglial phagocytosis of astrocytes to protect the brain-blood barrier after cerebral ischemia.
Acta Pharmacol.Sin., 46, 2025
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8H9Z
 | | Annexin A5 protein mutant | | Descriptor: | Annexin A5, CALCIUM ION | | Authors: | Hua, Z.C, Tang, W. | | Deposit date: | 2022-10-26 | | Release date: | 2023-11-01 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A novel annexin dimer targets microglial phagocytosis of astrocytes to protect the brain-blood barrier after cerebral ischemia.
Acta Pharmacol.Sin., 46, 2025
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6V51
 | | Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO) | | Descriptor: | 4-amino-2,2,6,6-tetramethylpiperidin-1-ol, Endolysin | | Authors: | Liu, J, Morizumi, T, Ou, W.L, Wang, L, Ernst, O.P. | | Deposit date: | 2019-12-02 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Genetically Encoded Quinone Methides Enabling Rapid, Site-Specific, and Photocontrolled Protein Modification with Amine Reagents.
J.Am.Chem.Soc., 142, 2020
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8RWE
 | | Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch4 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,3-diethyl-8-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-03 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RWI
 | | Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography | | Descriptor: | 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H, Weinert, T. | | Deposit date: | 2024-02-05 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RW4
 | | Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'AzoSwitch2 | | Descriptor: | 8-[(~{E})-(3,4-dimethoxyphenyl)diazenyl]-1,3-diethyl-7~{H}-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RWC
 | | Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch2 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RWD
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8RWX
 | | Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography | | Descriptor: | 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, OLEIC ACID, ... | | Authors: | Glover, H, Bertrand, Q, Weinert, T. | | Deposit date: | 2024-02-05 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RW0
 | | Crystal structure of the adenosine A2A receptor in complex with Istradefylline | | Descriptor: | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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