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1DTT
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BU of 1dtt by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94)
Descriptor: HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
Authors:Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K.
Deposit date:2000-01-13
Release date:2000-04-02
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
5HQ8
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BU of 5hq8 by Molmil
Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2016-01-21
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
5V3B
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BU of 5v3b by Molmil
Human A20 OTU domain (WT) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
7ZUX
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BU of 7zux by Molmil
Collided ribosome in a disome unit from S. cerevisiae
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R.
Deposit date:2022-05-13
Release date:2023-02-22
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
5V5O
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BU of 5v5o by Molmil
Structure of NLS2K of influenza A virus nucleoprotein bound to importin alpha
Descriptor: Importin subunit alpha-1, Nucleoprotein
Authors:Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
Deposit date:2017-03-14
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Synergy of two low-affinity NLSs determines the high avidity of influenza A virus nucleoprotein NP for human importin alpha isoforms.
Sci Rep, 7, 2017
6VJG
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BU of 6vjg by Molmil
Csx3-I222 Crystal Form at 1.8 Angstrom Resolution
Descriptor: CRISPR-associated protein, Csx3 family
Authors:Brown, S, Charbonneau, A, Burman, N, Gauvin, C.C, Lawrence, C.M.
Deposit date:2020-01-15
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Csx3 is a cyclic oligonucleotide phosphodiesterase associated with type III CRISPR-Cas that degrades the second messenger cA 4 .
J.Biol.Chem., 295, 2020
1MJA
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BU of 1mja by Molmil
Crystal structure of yeast Esa1 histone acetyltransferase domain complexed with acetyl coenzyme A
Descriptor: COENZYME A, Esa1 protein
Authors:Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
Deposit date:2002-08-27
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
6REY
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BU of 6rey by Molmil
Human 20S-PA200 Proteasome Complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, Proteasome subunit alpha type-1, ...
Authors:Toste Rego, A, da Fonseca, P.C.A.
Deposit date:2019-04-12
Release date:2019-09-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Characterization of Fully Recombinant Human 20S and 20S-PA200 Proteasome Complexes.
Mol.Cell, 76, 2019
6VRC
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BU of 6vrc by Molmil
Cryo-EM structure of Cas13(crRNA)
Descriptor: CRISPR-associated endoribonuclease Cas13a, RNA (51-MER)
Authors:Jia, N, Meeske, A.J, Marraffini, L.A, Patel, D.J.
Deposit date:2020-02-07
Release date:2020-06-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A phage-encoded anti-CRISPR enables complete evasion of type VI-A CRISPR-Cas immunity.
Science, 369, 2020
5ETB
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BU of 5etb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED13
Descriptor: 1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-17
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5ETD
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BU of 5etd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED14
Descriptor: 1-(1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-17
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
6GLV
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BU of 6glv by Molmil
Crystal structure of hMTH1 D120N in complex with TH scaffold 1 in the absence of acetate
Descriptor: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:hMTH1 D120N in complex with TH scaffold 1
To Be Published
5V30
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BU of 5v30 by Molmil
Crystal structure of the sensor domain of the transcriptional regulator HcpR from Porphyromonas Gingivalis
Descriptor: GLYCEROL, SULFATE ION, Transcriptional regulator
Authors:Musayev, F.N, Belvin, B.R, Escalante, C.R, Turner, J, Lewis, J.P.
Deposit date:2017-03-06
Release date:2018-06-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Nitrosative stress sensing in Porphyromonas gingivalis: structure of and heme binding by the transcriptional regulator HcpR.
Acta Crystallogr D Struct Biol, 75, 2019
5HW6
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BU of 5hw6 by Molmil
Candida albicans FKBP12 apo protein in C2 space group
Descriptor: ACETATE ION, FK506-binding protein 1
Authors:Tonthat, N.K, Schumacher, M.A.
Deposit date:2016-01-28
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
4NKQ
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BU of 4nkq by Molmil
Structure of a Cytokine Receptor Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit beta, Granulocyte-macrophage colony-stimulating factor, ...
Authors:Parker, M.W, Broughton, S.E.
Deposit date:2013-11-13
Release date:2015-09-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Conformational Changes in the GM-CSF Receptor Suggest a Molecular Mechanism for Affinity Conversion and Receptor Signaling.
Structure, 24, 2016
6GLI
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BU of 6gli by Molmil
Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the presence of acetate
Descriptor: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:hMTH1 F27A in complex with TH scaffold 1
To Be Published
6GLN
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BU of 6gln by Molmil
Crystal structure of hMTH1 N33A in complex with TH scaffold 1 in the absence of acetate
Descriptor: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:hMTH1 N33A in complex with TH scaffold 1
To Be Published
5H68
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BU of 5h68 by Molmil
Crystal structure of an engaged dimer of the Geobacillus stearothermophilus SMC head domain
Descriptor: Chromosome partition protein Smc, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Kamada, K, Hirano, T.
Deposit date:2016-11-11
Release date:2017-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Overall Shapes of the SMC-ScpAB Complex Are Determined by Balance between Constraint and Relaxation of Its Structural Parts
Structure, 25, 2017
6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
Descriptor: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-01-29
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
5UK8
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BU of 5uk8 by Molmil
The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR
Descriptor: (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Mamo, M, Elling, R.A.
Deposit date:2017-01-20
Release date:2017-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
1MJ9
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BU of 1mj9 by Molmil
Crystal structure of yeast Esa1(C304S) mutant complexed with Coenzyme A
Descriptor: COENZYME A, ESA1 PROTEIN, SODIUM ION
Authors:Yan, Y, Harper, S, Speicher, D, Marmorstein, R.
Deposit date:2002-08-27
Release date:2002-10-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the ESA1 histone acetyltransferase involves a self-acetylated intermediate.
Nat.Struct.Biol., 9, 2002
1C0U
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BU of 1c0u by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934
Descriptor: (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
Authors:Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K.
Deposit date:1999-07-19
Release date:2000-07-19
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
4NOY
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BU of 4noy by Molmil
Crystal structure of Listeria monocytogenes Hfq F43W
Descriptor: Protein Hfq, S-1,2-PROPANEDIOL
Authors:Canty, J.T, Kovach, A.R, Brennan, R.G.
Deposit date:2013-11-20
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Recognition of U-rich RNA by Hfq from the Gram-positive pathogen Listeria monocytogenes.
Rna, 20, 2014
5HHJ
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BU of 5hhj by Molmil
Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in P21 space group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, PHOSPHATE ION, ...
Authors:Zhao, C, Pyle, A.M.
Deposit date:2016-01-11
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution.
Nat.Struct.Mol.Biol., 23, 2016
8BQX
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BU of 8bqx by Molmil
Yeast 80S ribosome in complex with Map1 (conformation 2)
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
Deposit date:2022-11-21
Release date:2023-03-22
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains.
Plos Biol., 21, 2023

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