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6RKC
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Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, Methionine adenosyltransferase, ...
Authors:Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F.
Deposit date:2019-04-30
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
1X9N
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Crystal Structure of Human DNA Ligase I bound to 5'-adenylated, nicked DNA
Descriptor: 5'-phosphorylated DNA, ADENOSINE MONOPHOSPHATE, DNA ligase I, ...
Authors:Pascal, J.M, O'Brien, P.J, Tomkinson, A.E, Ellenberger, T.
Deposit date:2004-08-23
Release date:2004-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human DNA ligase I completely encircles and partially unwinds nicked DNA.
Nature, 432, 2004
6XR4
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BU of 6xr4 by Molmil
Integrative in situ structure of Parkinsons disease-linked human LRRK2
Descriptor: Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Villa, E, Lasker, K, Audagnotto, M.
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (14 Å)
Cite:The In Situ Structure of Parkinson's Disease-Linked LRRK2.
Cell, 182, 2020
6RJS
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Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum
Descriptor: Methionine adenosyltransferase
Authors:Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F.
Deposit date:2019-04-29
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
3L2P
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BU of 3l2p by Molmil
Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching Between Two DNA Bound States
Descriptor: 5'-D(*GP*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*CP*CP*G)-3', 5'-D(*GP*TP*CP*GP*GP*AP*CP*TP*G)-3', 5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*C)-3', ...
Authors:Cotner-Gohara, E.A, Kim, I.K, Hammel, M, Tainer, J.A, Tomkinson, A, Ellenberger, T.
Deposit date:2009-12-15
Release date:2010-07-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching between Two DNA-Bound States.
Biochemistry, 49, 2010
7NH4
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Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
7NH5
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Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
3SO4
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BU of 3so4 by Molmil
Methionine-adenosyltransferase from Entamoeba histolytica
Descriptor: ACETATE ION, Methionine-adenosyltransferase
Authors:Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2011-06-29
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Methionine-adenosyltransferase from Entamoeba histolytica
To be Published
6S9W
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
6S9X
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
6G52
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CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
Descriptor: Metal transporter CNNM4
Authors:Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
Deposit date:2018-03-28
Release date:2019-04-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.691 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
8TYQ
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BU of 8tyq by Molmil
Structure of the C-terminal half of LRRK2 bound to GZD-824 (G2019S mutant)
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Designed Ankyrin Repeats Protein E11, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-25
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TZE
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Structure of C-terminal half of LRRK2 bound to GZD-824
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TZF
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Structure of full length LRRK2 bound to GZD-824 (I2020T mutant)
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TZH
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BU of 8tzh by Molmil
Structure of full-length LRRK2 bound to MLi-2 (I2020T mutant)
Descriptor: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TZB
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BU of 8tzb by Molmil
Structure of the C-terminal half of LRRK2 bound to GZD-824 (I2020T mutant)
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Leucine-rich repeat serine/threonine-protein kinase 2, designed ankyrin repeat proteins E11
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8VDN
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BU of 8vdn by Molmil
DNA Ligase 1 with nick dG:C
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase 1, Downstream Oligo, ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-16
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VDS
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BU of 8vds by Molmil
DNA Ligase 1 with nick DNA 3'rG:C
Descriptor: DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*G)-D(P*GP*TP*CP*GP*GP*AP*C)-3')
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VZM
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BU of 8vzm by Molmil
DNA Ligase 1 captured with pre-step 3 ligation at the rA:T nicksite
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2024-02-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VDT
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BU of 8vdt by Molmil
DNA Ligase 1 with nick DNA 3'rA:T
Descriptor: DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*TP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*A)-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VZL
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BU of 8vzl by Molmil
DNA Ligase 1 captured with pre-step 3 ligation at the rG:C nicksite
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2024-02-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8BOT
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BU of 8bot by Molmil
Cryo-EM structure of NHEJ supercomplex(trimer)
Descriptor: DNA (24-MER), DNA (27-MER), DNA (28-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-15
Release date:2023-06-28
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (7.76 Å)
Cite:Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ.
Structure, 31, 2023
8EOB
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BU of 8eob by Molmil
Cryo-EM structure of human HSP90B in the closed state
Descriptor: Heat shock protein HSP 90-beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Srivastava, D, Artemyev, N.O.
Deposit date:2022-10-02
Release date:2023-01-25
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Unique interface and dynamics of the complex of HSP90 with a specialized cochaperone AIPL1.
Structure, 31, 2023
8EOA
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Cryo-EM structure of human HSP90B-AIPL1 complex
Descriptor: Aryl-hydrocarbon-interacting protein-like 1, Heat shock protein HSP 90-beta, MAGNESIUM ION, ...
Authors:Srivastava, D, Artemyev, N.O.
Deposit date:2022-10-02
Release date:2023-01-25
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Unique interface and dynamics of the complex of HSP90 with a specialized cochaperone AIPL1.
Structure, 31, 2023
8DBE
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BU of 8dbe by Molmil
Human PRPS1 with ADP; Hexamer
Descriptor: 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hvorecny, K.L, Kollman, J.M.
Deposit date:2022-06-14
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Human PRPS1 filaments stabilize allosteric sites to regulate activity.
Nat.Struct.Mol.Biol., 30, 2023

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