6W0N
 
 | | Structure of KHK in complex with compound 2 | | Descriptor: | 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-03-02 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
|
|
6W3K
 | | Structure of unphosphorylated human IRE1 bound to G-9807 | | Descriptor: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Lammens, A, Wang, W, Ferri, E, Rudolph, J. | | Deposit date: | 2020-03-09 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
|
|
8HY0
 | |
8HXZ
 | | Cryo-EM structure of Eaf3 CHD in complex with nucleosome | | Descriptor: | Chromatin modification-related protein EAF3, DNA (352-MER), Histone H2A, ... | | Authors: | Cui, H, Wang, H. | | Deposit date: | 2023-01-05 | | Release date: | 2023-09-27 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8I93
 | | ACE2-B0AT1 complex bound with methionine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Cell Discov, 9, 2023
|
|
6W70
 | | Crystal Structure of apixaban-bound ABLE | | Descriptor: | 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, ACETATE ION, De novo designed ABLE, ... | | Authors: | Polizzi, N.F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-08-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.296 Å) | | Cite: | A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
|
|
8HXX
 | | Cryo-EM structure of the histone deacetylase complex Rpd3S | | Descriptor: | Chromatin modification-related protein EAF3, Histone H3, Histone deacetylase RPD3, ... | | Authors: | Cui, H, Wang, H. | | Deposit date: | 2023-01-05 | | Release date: | 2023-09-27 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8I92
 | | ACE2-B0AT1 complex bound with glutamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Cell Discov, 9, 2023
|
|
8HXY
 | |
8G0U
 | |
7CKE
 | |
7CKD
 | |
8GBD
 | | Homo sapiens Zalpha mutant - P193A | | Descriptor: | Double-stranded RNA-specific adenosine deaminase | | Authors: | Langeberg, C.J, Vogeli, B, Nichols, P.J, Henen, M, Vicens, Q. | | Deposit date: | 2023-02-25 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Differential Structural Features of Two Mutant ADAR1p150 Z alpha Domains Associated with Aicardi-Goutieres Syndrome.
J.Mol.Biol., 435, 2023
|
|
8GBC
 | | Homo sapiens Zalpha mutant - N173S | | Descriptor: | Double-stranded RNA-specific adenosine deaminase | | Authors: | Langeberg, C.J, Nichols, P.J, Henen, M, Vicens, Q, Vogeli, B. | | Deposit date: | 2023-02-25 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Differential Structural Features of Two Mutant ADAR1p150 Z alpha Domains Associated with Aicardi-Goutieres Syndrome.
J.Mol.Biol., 435, 2023
|
|
8GSA
 | |
8PXJ
 | | Structure of Whitewater Arroyo virus GP1 glycoprotein, solved at wavelength 2.75 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Glycoprotein G1, ... | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bowden, T.A, Wagner, A. | | Deposit date: | 2023-07-23 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
|
|
6W7L
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.856 Å) | | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
|
|
6W4R
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ633p | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-11 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.819 Å) | | Cite: | Tdp1 catalytic domain
To Be Published
|
|
6W7K
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
|
|
7FAG
 | | Room temperature structure of elastase with high-strength agarose hydrogel | | Descriptor: | CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Adachi, H, Murata, M, Mori, Y. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Room temperature structure of elastase with high-strength agarose hydrogel
To Be Published
|
|
6W4N
 | |
6W7J
 | | Structure of Tdp1 catalytic domain in complex with inhibitor XZ635p | | Descriptor: | 1,2-ETHANEDIOL, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Tdp1 catalytic domain
To Be Published
|
|
6WBT
 | | 2.52 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Glucose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, MANGANESE (II) ION, ... | | Authors: | Wu, R, Kim, Y, Endres, M, Joachimiak, J. | | Deposit date: | 2020-03-27 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | 2.52 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Glucose-6-phosphate
To Be Published
|
|
8PD8
 | | cAMP-bound SpSLC9C1 in lipid nanodiscs, dimer | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-12 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
|
|
8PD3
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 2 | | Descriptor: | Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
|
|
