4Y4Y
 
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4Y5Z
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4Y6T
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4Y6X
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8BY2
 | | Structure of the K+/H+ exchanger KefC with GSH. | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, GLUTATHIONE, ... | | Authors: | Gulati, A, Drew, D. | | Deposit date: | 2022-12-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structure and mechanism of the K+/H+ exchanger KefC
To be published
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8BXG
 | | Structure of the K/H exchanger KefC. | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ... | | Authors: | Gulati, A, Drew, D. | | Deposit date: | 2022-12-08 | | Release date: | 2023-12-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structure and mechanism of the K+/H+ exchanger KefC
To be published
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8PS0
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5J1D
 | | X-ray crystal structure of Phosphate binding protein (PBP) from Stenotrophomonas maltophilia | | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphate binding protein | | Authors: | Hatti, K, Gulati, A, Narayanswamy, S, Murthy, M.R.N. | | Deposit date: | 2016-03-29 | | Release date: | 2016-10-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determination of crystal structures of proteins of unknown identity using a marathon molecular replacement procedure: structure of Stenotrophomonas maltophilia phosphate-binding protein.
Acta Crystallogr D Struct Biol, 72, 2016
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6I1R
 | | Crystal structure of CMP bound CST in an outward facing conformation | | Descriptor: | CMP-sialic acid transporter 1, CYTIDINE-5'-MONOPHOSPHATE | | Authors: | Nji, E, Gulati, A, Qureshi, A.A, Drew, D. | | Deposit date: | 2018-10-30 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the delivery of activated sialic acid into Golgi for sialyation.
Nat.Struct.Mol.Biol., 26, 2019
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6I1Z
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8OTX
 | | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in nanodisc | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sperm-specific sodium proton exchanger | | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
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8OTW
 | | Cryo-EM structure of Strongylocentrotus purpuratus SLC9C1 in presence of cAMP | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Sperm-specific sodium proton exchanger | | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
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8OTQ
 | | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in GDN | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, Sperm-specific sodium proton exchanger | | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
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7MCK
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18 | | Descriptor: | N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R. | | Deposit date: | 2021-04-02 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Rsc Med Chem, 12, 2021
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8THI
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (parallel dimer) | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, SODIUM ION, Sialic acid TRAP transporter permease protein SiaT | | Authors: | Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A. | | Deposit date: | 2023-07-16 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
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8THJ
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (antiparallel dimer) | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ... | | Authors: | Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A. | | Deposit date: | 2023-07-16 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
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7D5Q
 | | Structure of NorC transporter (K398A mutant) in an outward-open conformation in complex with a single-chain Indian camelid antibody | | Descriptor: | Drug transporter, putative, ICab, ... | | Authors: | Kumar, S, Athreya, A, Penmatsa, A. | | Deposit date: | 2020-09-27 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural basis of inhibition of a transporter from Staphylococcus aureus, NorC, through a single-domain camelid antibody.
Commun Biol, 4, 2021
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7D5P
 | | Structure of NorC transporter in an outward-open conformation in complex with a single-chain Indian camelid antibody | | Descriptor: | Drug transporter, putative, ICab, ... | | Authors: | Kumar, S, Athreya, A, Penmatsa, A. | | Deposit date: | 2020-09-27 | | Release date: | 2021-06-09 | | Last modified: | 2021-07-14 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Structural basis of inhibition of a transporter from Staphylococcus aureus, NorC, through a single-domain camelid antibody.
Commun Biol, 4, 2021
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7QHA
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in amphipol | | Descriptor: | Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ... | | Authors: | North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J. | | Deposit date: | 2021-12-11 | | Release date: | 2022-12-21 | | Last modified: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
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8B01
 | | Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in a nanodisc | | Descriptor: | DECANE, DOCOSANE, HEXANE, ... | | Authors: | Davies, J.S, North, R.A, Dobson, R.C.J. | | Deposit date: | 2022-09-06 | | Release date: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
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4GA3
 | | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | | Descriptor: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2012-07-24 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
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8E81
 | | Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25 | | Descriptor: | (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2022-08-25 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
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8E80
 | | Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14 | | Descriptor: | 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2022-08-25 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
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8SIX
 | | Structure of Compound 13 bound to the CHK1 10-point mutant | | Descriptor: | (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
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8SIV
 | | Structure of Compound 2 bound to the CHK1 10-point mutant | | Descriptor: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2023-04-17 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.759 Å) | | Cite: | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
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