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8B4H
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BU of 8b4h by Molmil
IstA transposase cleaved donor complex
Descriptor: DNA (55-MER) / right IS21 transposon end (insertion sequence IS5376), DNA (57-MER) / right IS21 transposon end (insertion sequence IS5376), MAGNESIUM ION, ...
Authors:Spinola-Amilibia, M, de la Gandara, A, Araujo-Bazan, L, Berger, J.M, Arias-Palomo, E.
Deposit date:2022-09-20
Release date:2023-05-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:IS21 family transposase cleaved donor complex traps two right-handed superhelical crossings.
Nat Commun, 14, 2023
6XEZ
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BU of 6xez by Molmil
Structure of SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
Authors:Chen, J, Malone, B, Llewellyn, E.C, Campbell, E.A, Darst, S.A.
Deposit date:2020-06-14
Release date:2020-07-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Basis for Helicase-Polymerase Coupling in the SARS-CoV-2 Replication-Transcription Complex.
Cell, 182, 2020
7SR6
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BU of 7sr6 by Molmil
Human Endogenous Retrovirus (HERV-K) reverse transcriptase ternary complex with dsDNA template Primer and dNTP
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
Authors:Baldwin, E.T, Nichols, C.
Deposit date:2021-11-08
Release date:2022-07-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition.
Proc.Natl.Acad.Sci.USA, 119, 2022
6QA6
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Glycogen Phosphorylase b in complex with 30
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
6PWQ
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Crystal structure of Levansucrase from Bacillus subtilis mutant S164A at 2.6 A
Descriptor: CALCIUM ION, GLYCEROL, Glycoside hydrolase family 68 protein, ...
Authors:Diaz-Vilchis, A, Rodriguez-Alegria, M.E, Ortiz-Soto, M.E, Rudino-Pinera, E, Lopez-Munguia, A.
Deposit date:2019-07-23
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Implications of the mutation S164A on Bacillus subtilis levansucrase product specificity and insights into protein interactions acting upon levan synthesis.
Int.J.Biol.Macromol., 161, 2020
8OY8
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BU of 8oy8 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (30 nanosecond timepoint)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OYC
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BU of 8oyc by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (100 microsecond timpeoint)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY6
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BU of 8oy6 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (3 nanosecond pump-probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY5
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BU of 8oy5 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (1 nanosecond pump-probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OYA
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BU of 8oya by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (10 microsecond pump probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY3
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BU of 8oy3 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (3 picosecond pump-probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY9
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BU of 8oy9 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (1 microsecond pump-probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY7
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BU of 8oy7 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (10 nanosecond pump-probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
5O52
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BU of 5o52 by Molmil
Glycogen Phosphorylase b in complex with 33b
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ...
Authors:Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-05-31
Release date:2017-09-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
8OYB
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BU of 8oyb by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (30 microsecond pump-probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
8OY4
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BU of 8oy4 by Molmil
Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (300 ps pump-probe delay)
Descriptor: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
Deposit date:2023-05-03
Release date:2023-11-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
5O50
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BU of 5o50 by Molmil
Glycogen Phosphorylase b in complex with 33a
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol, Glycogen phosphorylase, muscle form, ...
Authors:Kantsadi, A.L, Kyriakis, E, Stravodimos, G.A, Solovou, T.G.A, Chatzileontiadou, D.S, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2017-05-31
Release date:2017-09-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nanomolar Inhibitors of Glycogen Phosphorylase Based on beta-d-Glucosaminyl Heterocycles: A Combined Synthetic, Enzyme Kinetic, and Protein Crystallography Study.
J. Med. Chem., 60, 2017
9CYR
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BU of 9cyr by Molmil
Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9C4B
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BU of 9c4b by Molmil
Second BAF53a of the human TIP60 complex
Descriptor: Actin-like protein 6A
Authors:Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E.
Deposit date:2024-06-03
Release date:2024-08-14
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
6O0J
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BU of 6o0j by Molmil
M.tb MenD with ThDP and Inhibitor bound
Descriptor: 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ACETATE ION, ...
Authors:Johnston, J.M, Bashiri, G, Bulloch, E.M.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Ho, N.A.T, Baker, E.N.
Deposit date:2019-02-16
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
9CYP
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BU of 9cyp by Molmil
Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9BOO
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BU of 9boo by Molmil
Crystal structure of MERS-CoV Nsp5 in complex with PF-07817883
Descriptor: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
Authors:Chen, P, Arutyunova, E, Lemieux, M.J.
Deposit date:2024-05-05
Release date:2024-08-07
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M pro ) of SARS-CoV-2 and MERS-CoV.
Jacs Au, 4, 2024
9CYO
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BU of 9cyo by Molmil
Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYQ
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BU of 9cyq by Molmil
Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K)
Descriptor: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
Deposit date:2024-08-02
Release date:2024-08-21
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9C47
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BU of 9c47 by Molmil
TRRAP module of the human TIP60 complex
Descriptor: E1A-binding protein p400, Transformation/transcription domain-associated protein
Authors:Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E.
Deposit date:2024-06-03
Release date:2024-08-14
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024

224931

건을2024-09-11부터공개중

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