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4MLT
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BU of 4mlt by Molmil
Structure of a monodentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
Descriptor: 3-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2013-09-06
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.
J.Am.Chem.Soc., 136, 2014
4MLX
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BU of 4mlx by Molmil
Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII
Descriptor: 5-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2013-09-06
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site.
J.Am.Chem.Soc., 136, 2014
4OWX
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BU of 4owx by Molmil
Structural basis of SOSS1 in complex with a 12nt ssDNA
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Integrator complex subunit 3, SOSS complex subunit B1
Authors:Ren, W, Sun, Q, Tang, X, Song, H.
Deposit date:2014-02-04
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of SOSS1 Complex Assembly and Recognition of ssDNA.
Cell Rep, 6, 2014
7KZV
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BU of 7kzv by Molmil
Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in closed state
Descriptor: DNA (29-MER), E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZT
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BU of 7kzt by Molmil
Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in intermediate state
Descriptor: DNA (22-MER), E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZQ
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BU of 7kzq by Molmil
Structure of the human Fanconi anaemia Core-ID complex
Descriptor: E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, Fanconi anemia core complex-associated protein 20, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
7KZS
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BU of 7kzs by Molmil
Structure of the human fanconi anaemia Core-UBE2T-ID-DNA complex in open state
Descriptor: DNA (25-MER), E3 ubiquitin-protein ligase FANCL, Fanconi anemia core complex-associated protein 100, ...
Authors:Wang, S.L, Pavletich, N.P.
Deposit date:2020-12-10
Release date:2021-03-10
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the FA core ubiquitin ligase closing the ID clamp on DNA.
Nat.Struct.Mol.Biol., 28, 2021
6V5C
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BU of 6v5c by Molmil
Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - partially docked state
Descriptor: Microprocessor complex subunit DGCR8, Pri-miR-16-2 (66-MER), Ribonuclease 3
Authors:Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y.
Deposit date:2019-12-04
Release date:2020-04-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA.
Mol.Cell, 78, 2020
6V5B
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BU of 6v5b by Molmil
Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - Active state
Descriptor: CALCIUM ION, Microprocessor complex subunit DGCR8, Pri-miR-16-2 (78-MER), ...
Authors:Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y.
Deposit date:2019-12-04
Release date:2020-04-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA.
Mol.Cell, 78, 2020
6V4H
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BU of 6v4h by Molmil
Crystal Structure Analysis of Zebra Fish MDMX
Descriptor: Protein Mdm4, Stapled Peptide LSQETF(0EH)DLWKLL(MK8)EN(NH2)
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-27
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6V4F
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BU of 6v4f by Molmil
Crystal Structure Analysis of Zebra Fish MDMX
Descriptor: Protein Mdm4, SULFATE ION, Stapled Peptide LSQETF(0EH)DLWKLE(MK8)EN(NH2)
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-11-27
Release date:2020-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identification of a Structural Determinant for Selective Targeting of HDMX.
Structure, 28, 2020
6WJV
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BU of 6wjv by Molmil
Structure of the Saccharomyces cerevisiae polymerase epsilon holoenzyme
Descriptor: DNA polymerase epsilon catalytic subunit A, DNA polymerase epsilon subunit B, DNA polymerase epsilon subunit C, ...
Authors:Yuan, Z, Georgescu, R, Schauer, G.D, O'Donnell, M, Li, H.
Deposit date:2020-04-14
Release date:2020-07-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the polymerase epsilon holoenzyme and atomic model of the leading strand replisome.
Nat Commun, 11, 2020
6WLG
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BU of 6wlg by Molmil
Ints3 C-terminal Domain
Descriptor: Integrator complex subunit 3
Authors:Li, J, Ma, X.L, Banerjee, S, Dong, Z.G.
Deposit date:2020-04-20
Release date:2020-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.111 Å)
Cite:Structural basis for multifunctional roles of human Ints3 C-terminal domain.
J.Biol.Chem., 296, 2020
5XSG
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BU of 5xsg by Molmil
Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED
Descriptor: RNA-binding protein FUS
Authors:Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C.
Deposit date:2017-06-14
Release date:2018-04-04
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.73 Å)
Cite:Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
5YVG
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BU of 5yvg by Molmil
Crystal structure of Karyopherin beta2 in complex with FUS(full length)
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Yoshizawa, T, Fung, H.Y.J, Chook, Y.M.
Deposit date:2017-11-25
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:Nuclear Import Receptor Inhibits Phase Separation of FUS through Binding to Multiple Sites.
Cell, 173, 2018
5WLC
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BU of 5wlc by Molmil
The complete structure of the small subunit processome
Descriptor: 18S pre-rRNA, 5' ETS, Bms1, ...
Authors:Barandun, J, Chaker-Margot, M, Hunziker, M, Klinge, S.
Deposit date:2017-07-26
Release date:2017-09-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The complete structure of the small-subunit processome.
Nat. Struct. Mol. Biol., 24, 2017
5WWO
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BU of 5wwo by Molmil
Crystal structure of Enp1
Descriptor: Essential nuclear protein 1, Protein LTV1
Authors:Ye, K, Zhang, W.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5YZ0
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BU of 5yz0 by Molmil
Cryo-EM Structure of human ATR-ATRIP complex
Descriptor: ATR-interacting protein, Serine/threonine-protein kinase ATR
Authors:Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y.
Deposit date:2017-12-11
Release date:2018-01-31
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structure of human ATR-ATRIP complex.
Cell Res., 28, 2018
5WJK
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BU of 5wjk by Molmil
2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K
Descriptor: CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Broecker, J, Ou, W.-L, Ernst, O.P.
Deposit date:2017-07-23
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
Descriptor: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
5H08
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BU of 5h08 by Molmil
Human PTPRZ D1 domain complexed with NAZ2329
Descriptor: 3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase zeta
Authors:Sugawara, H.
Deposit date:2016-10-04
Release date:2017-07-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Targeting PTPRZ inhibits stem cell-like properties and tumorigenicity in glioblastoma cells
Sci Rep, 7, 2017
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
5I3U
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BU of 5i3u by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL
Descriptor: DNA (39-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
Authors:Das, K, Arnold, E.
Deposit date:2016-02-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
6XTI
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BU of 6xti by Molmil
NMR solution structure of class IV lasso peptide felipeptin A2 from Amycolatopsis sp. YIM10
Descriptor: Felipeptin A2
Authors:Madland, E, Aachmann, F.L, Guerrero-Garzon, J.F, Zotchev, S.B, Courtade, G.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Class IV Lasso Peptides Synergistically Induce Proliferation of Cancer Cells and Sensitize Them to Doxorubicin.
Iscience, 23, 2020

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