5KM5
 
 | | Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate catalytic product complex | | Descriptor: | 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, CHLORIDE ION, Histidine triad nucleotide-binding protein 2, ... | | Authors: | Maize, K.M, Finzel, B.C. | | Deposit date: | 2016-06-26 | | Release date: | 2017-06-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
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8OR9
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4JA3
 | | Partially occluded inward open conformation of the xylose transporter XylE from E. coli | | Descriptor: | CADMIUM ION, D-xylose-proton symporter, LUTETIUM (III) ION | | Authors: | Quistgaard, E.M, Low, C, Moberg, P, Tresaugues, L, Nordlund, P. | | Deposit date: | 2013-02-18 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural basis for substrate transport in the GLUT-homology family of monosaccharide transporters.
Nat.Struct.Mol.Biol., 20, 2013
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8ORA
 | | Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester | | Descriptor: | Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ... | | Authors: | Bisello, G, Perduca, M, Bertoldi, M. | | Deposit date: | 2023-04-13 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency.
Protein Sci., 32, 2023
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5KZU
 | | Crystal structure of an acetylcholine binding protein from Aplysia californica (Ac-AChBP) in complex with click chemistry compound 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole | | Descriptor: | 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole, SULFATE ION, Soluble acetylcholine receptor, ... | | Authors: | Bobango, J, Wu, J, Talley, I.T, Sankaran, B, Talley, T.T. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) in complex with click chemistry compound 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole
To Be Published
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4RVO
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4WMF
 | | Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121 | | Descriptor: | DI(HYDROXYETHYL)ETHER, MERS-CoV 3CL protease, TETRAETHYLENE GLYCOL | | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | | Deposit date: | 2014-10-08 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
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5O6J
 | | Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031 | | Descriptor: | 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ... | | Authors: | Brannigan, J.A, Wilkinson, A.J. | | Deposit date: | 2017-06-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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4TTT
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6ZL4
 | | the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis) | | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | | Deposit date: | 2020-06-30 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
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8B9I
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8B9G
 | | Cryo-EM structure of MLE in complex with ADP:AlF4 and U10 RNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dosage compensation regulator, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ... | | Authors: | Jagtap, P.K.A, Hennig, J. | | Deposit date: | 2022-10-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural basis of RNA-induced autoregulation of the DExH-type RNA helicase maleless.
Mol.Cell, 83, 2023
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5O6H
 | | Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917 | | Descriptor: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Brannigan, J.A, Wilkinson, A.J. | | Deposit date: | 2017-06-06 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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6OCQ
 | | Crystal structure of RIP1 kinase in complex with a pyrrolidine | | Descriptor: | 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION | | Authors: | Thorpe, J.H, Harris, P.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
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8B9K
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3G08
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8B9J
 | | Cryo-EM structure of MLE in complex with ADP:AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dosage compensation regulator, MAGNESIUM ION, ... | | Authors: | Jagtap, P.K.A, Hennig, J. | | Deposit date: | 2022-10-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structural basis of RNA-induced autoregulation of the DExH-type RNA helicase maleless.
Mol.Cell, 83, 2023
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5JAL
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5JAS
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5JB2
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4RPE
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5JAJ
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8BD0
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6ZIS
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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8J2F
 | | Human neutral shpingomyelinase | | Descriptor: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | | Authors: | Zhang, S.S. | | Deposit date: | 2023-04-14 | | Release date: | 2023-12-06 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2).
Nat Commun, 14, 2023
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