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5PZ5
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BU of 5pz5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 101)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
Authors:Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3TLQ
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BU of 3tlq by Molmil
Crystal structure of EAL-like domain protein YdiV
Descriptor: GLYCEROL, PHOSPHATE ION, Regulatory protein YdiV
Authors:Li, B, Li, N, Wang, F, Guo, L, Liu, C, Zhu, D, Xu, S, Gu, L.
Deposit date:2011-08-30
Release date:2012-09-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
6YJ6
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BU of 6yj6 by Molmil
Structure of the TFIIIC subcomplex tauA
Descriptor: Transcription factor tau 131 kDa subunit, Transcription factor tau 55 kDa subunit, Transcription factor tau 95 kDa subunit,Transcription factor tau 95 kDa subunit
Authors:Vorlaender, M.K, Muller, C.W.
Deposit date:2020-04-02
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the TFIIIC subcomplex tau A provides insights into RNA polymerase III pre-initiation complex formation.
Nat Commun, 11, 2020
5OX6
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BU of 5ox6 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Zhang, D, Schofield, C.J.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
2PP4
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BU of 2pp4 by Molmil
Solution Structure of ETO-TAFH refined in explicit solvent
Descriptor: Protein ETO
Authors:Wei, Y, Liu, S, Lausen, J, Woodrell, C, Cho, S, Biris, N, Kobayashi, N, Yokoyama, S, Werner, M.H.
Deposit date:2007-04-27
Release date:2007-06-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A TAF4-homology domain from the corepressor ETO is a docking platform for positive and negative regulators of transcription
Nat.Struct.Mol.Biol., 14, 2007
4ZZO
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BU of 4zzo by Molmil
Human ERK2 in complex with an irreversible inhibitor
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION
Authors:Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K.
Deposit date:2015-04-10
Release date:2015-05-27
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
6FN2
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BU of 6fn2 by Molmil
X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii
Descriptor: 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE, CHLORIDE ION, Cryptochrome photoreceptor, ...
Authors:Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Yamamoto, J, Mittag, M, Essen, L.-O.
Deposit date:2018-02-02
Release date:2018-08-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii.
Nucleic Acids Res., 46, 2018
4X3V
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BU of 4x3v by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to inhibitor
Descriptor: N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE
Authors:Dealwis, C.G, Ahmad, M.F, Alam, I.
Deposit date:2014-12-01
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators.
J.Med.Chem., 58, 2015
6G92
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BU of 6g92 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9A
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BU of 6g9a by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
2HFP
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BU of 2hfp by Molmil
Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands
Descriptor: 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE, Peroxisome proliferator-activated receptor gamma, SRC Peptide Fragment
Authors:Pokross, M.E, Evdokimov, A.G, Walter, R.L, Mekel, M.J, Hopkins, C.R.
Deposit date:2006-06-25
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.
Bioorg.Med.Chem.Lett., 16, 2006
5L9T
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BU of 5l9t by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with E2 UBE2S poised for polyubiquitination where UBE2S, APC2, and APC11 are modeled into low resolution density
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-10-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
2NS2
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BU of 2ns2 by Molmil
Crystal Structure of Spindlin1
Descriptor: PHOSPHATE ION, Spindlin-1
Authors:Zhao, Q, Qin, L, Jiang, F, Wu, B, Yue, W, Xu, F, Rong, Z, Yuan, H, Xie, X, Gao, Y, Bai, C, Bartlam, M.
Deposit date:2006-11-02
Release date:2006-11-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human spindlin1. Tandem tudor-like domains for cell cycle regulation
J.Biol.Chem., 282, 2007
5AVP
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BU of 5avp by Molmil
Crystal structure of Geodermatophilus obscurus L-ribose isomerase
Descriptor: L-ribose isomerase, MANGANESE (II) ION
Authors:Terami, Y, Kamitori, S.
Deposit date:2015-06-29
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Geodermatophilus obscurus L-ribose isomerase
To Be Published
4ERQ
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BU of 4erq by Molmil
X-ray structure of WDR5-MLL2 Win motif peptide binary complex
Descriptor: Histone-lysine N-methyltransferase MLL2, WD repeat-containing protein 5
Authors:Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
Deposit date:2012-04-20
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
1V6G
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BU of 1v6g by Molmil
Solution Structure of the LIM Domain of the Human Actin Binding LIM Protein 2
Descriptor: Actin Binding LIM Protein 2, ZINC ION
Authors:Miyamoto, K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-29
Release date:2004-06-01
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution Structure of the LIM Domain of the Human Actin Binding LIM Protein 2
To be Published
2HB7
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BU of 2hb7 by Molmil
Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol
Descriptor: 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor
Authors:Hourai, S, Rochel, N, Moras, D.
Deposit date:2006-06-14
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
3C8X
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BU of 3c8x by Molmil
Crystal structure of the ligand binding domain of human Ephrin A2 (Epha2) receptor protein kinase
Descriptor: Ephrin type-A receptor 2
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-14
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
5D8B
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BU of 5d8b by Molmil
Crystal structure of T. thermophilus ribosome containing a P-site wobble mismatch
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Korostelev, A.A.
Deposit date:2015-08-17
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Ribosome Structure Reveals Preservation of Active Sites in the Presence of a P-Site Wobble Mismatch.
Structure, 23, 2015
2GTK
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BU of 2gtk by Molmil
Structure-based Design of Indole Propionic Acids as Novel PPARag CO-Agonists
Descriptor: (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID, Decamer from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Kuhn, B, Hilpert, H, Benz, J, Binggeli, A, Grether, U, Humm, R, Maerki, H.-P, Meyer, M, Mohr, P.
Deposit date:2006-04-28
Release date:2006-09-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of indole propionic acids as novel PPARalpha/gamma co-agonists
Bioorg.Med.Chem.Lett., 16, 2006
3C3Z
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BU of 3c3z by Molmil
Crystal structure of HIV-1 subtype F DIS extended duplex RNA bound to ribostamycin
Descriptor: HIV-1 subtype F genomic RNA, RIBOSTAMYCIN
Authors:Freisz, S, Lang, K, Micura, R, Dumas, P, Ennifar, E.
Deposit date:2008-01-29
Release date:2008-05-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site.
Angew.Chem.Int.Ed.Engl., 47, 2008
7Y53
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BU of 7y53 by Molmil
The cryo-EM structure of human ERAD retro-translocation complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Derlin-1, Transitional endoplasmic reticulum ATPase
Authors:Cao, Y, Rao, B, Wang, Q, Yao, D, Xia, Y, Li, W, Li, S, Shen, Y.
Deposit date:2022-06-16
Release date:2023-10-18
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:The cryo-EM structure of the human ERAD retrotranslocation complex.
Sci Adv, 9, 2023
7Y59
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BU of 7y59 by Molmil
The cryo-EM structure of human ERAD retro-translocation complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Derlin-1, ...
Authors:Cao, Y, Rao, B, Wang, Q, Yao, D, Xia, Y, Li, W, Li, S, Shen, Y.
Deposit date:2022-06-16
Release date:2023-10-18
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (4.51 Å)
Cite:The cryo-EM structure of the human ERAD retrotranslocation complex.
Sci Adv, 9, 2023
7Y4W
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BU of 7y4w by Molmil
The cryo-EM structure of human ERAD retro-translocation complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Derlin-1, Transitional endoplasmic reticulum ATPase
Authors:Cao, Y, Rao, B, Wang, Q, Yao, D, Xia, Y, Li, W, Li, S, Shen, Y.
Deposit date:2022-06-16
Release date:2023-10-18
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:The cryo-EM structure of the human ERAD retrotranslocation complex.
Sci Adv, 9, 2023
5BUJ
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BU of 5buj by Molmil
ERK2 complexed with a N-H tetrahydroazaindazole
Descriptor: 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015

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