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8C8J
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BU of 8c8j by Molmil
Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ...
Authors:Nichols, C.E, Walpole, T.B, Baldwin, E.
Deposit date:2023-01-20
Release date:2023-12-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
4BSQ
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BU of 4bsq by Molmil
MOUSE CATHEPSIN S WITH COVALENT LIGAND
Descriptor: (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION
Authors:Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H.
Deposit date:2013-06-11
Release date:2013-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
4BS5
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BU of 4bs5 by Molmil
MOUSE CATHEPSIN S WITH COVALENT LIGAND
Descriptor: (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide, CATHEPSIN S
Authors:Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Haap, W.
Deposit date:2013-06-07
Release date:2013-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
1JSP
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BU of 1jsp by Molmil
NMR Structure of CBP Bromodomain in complex with p53 peptide
Descriptor: CREB-BINDING PROTEIN, tumor protein p53
Authors:He, Y, Mujtaba, S, Zeng, L, Yan, S, Zhou, M.-M.
Deposit date:2001-08-17
Release date:2002-08-17
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Structural mechanism of the bromodomain of the coactivator CBP in p53 transcriptional activation.
Mol.Cell, 13, 2004
8SXU
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BU of 8sxu by Molmil
Structure of LINE-1 ORF2p with an oligo(A) template
Descriptor: LINE-1 retrotransposable element ORF2 protein, RNA (25-MER)
Authors:van Eeuwen, T, Taylor, M.S, Rout, M.P.
Deposit date:2023-05-24
Release date:2024-01-10
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
1QFD
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BU of 1qfd by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI)
Descriptor: PROTEIN (ALPHA-AMYLASE INHIBITOR)
Authors:Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S.
Deposit date:1999-04-08
Release date:1999-07-16
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth.
J.Biol.Chem., 274, 1999
8SXT
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BU of 8sxt by Molmil
Structure of LINE-1 ORF2p with template:primer hybrid
Descriptor: DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ...
Authors:van Eeuwen, T, Taylor, M.S, Rout, M.P.
Deposit date:2023-05-24
Release date:2024-01-10
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
8E8V
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BU of 8e8v by Molmil
Structure of the short LOR domain of human AASS bound to N-ethylsuccinimide
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, Alpha-aminoadipic semialdehyde synthase, mitochondrial
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2022-08-25
Release date:2022-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
8E8U
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BU of 8e8u by Molmil
Structure of the LOR domain of human AASS
Descriptor: Alpha-aminoadipic semialdehyde synthase, mitochondrial, MAGNESIUM ION
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2022-08-25
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
8E8T
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BU of 8e8t by Molmil
Structure of the short LOR domain of human AASS
Descriptor: Alpha-aminoadipic semialdehyde synthase, mitochondrial
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2022-08-25
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
3TAM
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BU of 3tam by Molmil
Crystal structure of HIV-1 reverse transcriptase (K103N mutant) in complex with inhibitor M06
Descriptor: 3-chloro-5-{[4-methyl-2-oxo-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-dihydropyridin-3-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Yan, Y.
Deposit date:2011-08-04
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Design and synthesis of pyridone inhibitors of non-nucleoside reverse transcriptase.
Bioorg.Med.Chem.Lett., 21, 2011
6U3J
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BU of 6u3j by Molmil
Structure of the 2-oxoadipate dehydrogenase DHTKD1
Descriptor: 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, MAGNESIUM ION, ...
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2019-08-21
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibition and Crystal Structure of the Human DHTKD1-Thiamin Diphosphate Complex.
Acs Chem.Biol., 15, 2020
6UWY
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BU of 6uwy by Molmil
DYRK1A bound to a harmine derivative
Descriptor: 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2019-11-05
Release date:2020-02-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
3T1A
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BU of 3t1a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05
Descriptor: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
Authors:Yan, Y, Reid, J.
Deposit date:2011-07-21
Release date:2011-10-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
3T19
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BU of 3t19 by Molmil
Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05
Descriptor: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
Authors:Yan, Y, Reid, J.
Deposit date:2011-07-21
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
7B04
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BU of 7b04 by Molmil
Structure of Nitrite oxidoreductase (Nxr) from the anammox bacterium Kuenenia stuttgartiensis.
Descriptor: CALCIUM ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Moreno-Chicano, T, Dietl, A, Akram, M, Barends, T.R.M.
Deposit date:2020-11-18
Release date:2021-07-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural and functional characterization of the intracellular filament-forming nitrite oxidoreductase multiprotein complex
Nat Microbiol, 2021
7R62
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BU of 7r62 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative
Descriptor: 11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]-N-methyl-N-propylundecanamide, Estrogen receptor
Authors:Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza Sanchez, R, Marinier, A, Gleason, J, Greene, G.L, Mader, S.C, Fanning, S.W.
Deposit date:2021-06-22
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative
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