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5HRN
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BU of 5hrn by Molmil
HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002
Descriptor: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
Authors:Nolte, R.T.
Deposit date:2016-01-23
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
Descriptor: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
Authors:Judge, R.A, Petros, A.M.
Deposit date:2016-09-21
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
5H0O
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BU of 5h0o by Molmil
Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with manganese ion
Descriptor: HNH endonuclease, MANGANESE (II) ION
Authors:Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y.
Deposit date:2016-10-06
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease.
Sci Rep, 7, 2017
1SV5
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BU of 1sv5 by Molmil
CRYSTAL STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165335
Descriptor: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse Transcriptase
Authors:Das, K, Arnold, E.
Deposit date:2004-03-27
Release date:2004-05-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
2B5L
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BU of 2b5l by Molmil
Crystal Structure of DDB1 In Complex with Simian Virus 5 V Protein
Descriptor: Nonstructural protein V, ZINC ION, damage-specific DNA binding protein 1
Authors:Li, T, Chen, X, Garbutt, K.C, Zhou, P, Zheng, N.
Deposit date:2005-09-28
Release date:2006-02-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of DDB1 in complex with a paramyxovirus V protein: viral hijack of a propeller cluster in ubiquitin ligase.
Cell(Cambridge,Mass.), 124, 2006
1CJT
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BU of 1cjt by Molmil
COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2',3'-DIDEOXYATP, MN, AND MG
Descriptor: 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ...
Authors:Tesmer, J.J.G, Sprang, S.R.
Deposit date:1999-04-16
Release date:1999-08-31
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Two-metal-Ion catalysis in adenylyl cyclase.
Science, 285, 1999
4P8O
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BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
Descriptor: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
Authors:Jacobs, M.D.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
1CJK
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BU of 1cjk by Molmil
COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH ADENOSINE 5'-(ALPHA THIO)-TRIPHOSPHATE (RP), MG, AND MN
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ...
Authors:Tesmer, J.J.G, Sprang, S.R.
Deposit date:1999-04-16
Release date:1999-08-31
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Two-metal-Ion catalysis in adenylyl cyclase.
Science, 285, 1999
1D2N
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BU of 1d2n by Molmil
D2 DOMAIN OF N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN
Descriptor: GLYCEROL, MAGNESIUM ION, N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN, ...
Authors:Lenzen, C.U, Steinmann, D, Whiteheart, S.W, Weis, W.I.
Deposit date:1998-06-30
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the hexamerization domain of N-ethylmaleimide-sensitive fusion protein.
Cell(Cambridge,Mass.), 94, 1998
4PWM
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BU of 4pwm by Molmil
Crystal structure of Dickerson Drew Dodecamer with 5-carboxycytosine
Descriptor: 5'-[CGCGAATT(5CC)GCG]-3'
Authors:Szulik, M.W, Pallan, P, Banerjee, S, Voehler, M, Egli, M, Stone, M.P.
Deposit date:2014-03-20
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Differential stabilities and sequence-dependent base pair opening dynamics of watson-crick base pairs with 5-hydroxymethylcytosine, 5-formylcytosine, or 5-carboxylcytosine.
Biochemistry, 54, 2015
3VOW
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BU of 3vow by Molmil
Crystal Structure of the Human APOBEC3C having HIV-1 Vif-binding Interface
Descriptor: CHLORIDE ION, Probable DNA dC->dU-editing enzyme APOBEC-3C, ZINC ION
Authors:Kitamura, S, Suzuki, A, Watanabe, N, Iwatani, Y.
Deposit date:2012-02-22
Release date:2012-10-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The APOBEC3C crystal structure and the interface for HIV-1 Vif binding.
Nat.Struct.Mol.Biol., 19, 2012
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Descriptor: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
Deposit date:2011-02-02
Release date:2011-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
1KZ2
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BU of 1kz2 by Molmil
Solution structure of the third helix of Antennapedia homeodomain derivative [W6F,W14F]
Descriptor: Antennapedia protein
Authors:Czajlik, A, Mesko, E, Penke, B, Perczel, A.
Deposit date:2002-02-06
Release date:2002-02-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
J.Pept.Sci., 8, 2002
1KZ0
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BU of 1kz0 by Molmil
Solution structure of the third helix of Antennapedia homeodomain
Descriptor: Antennapedia protein
Authors:Czajlik, A, Mesko, E, Penke, B, Perczel, A.
Deposit date:2002-02-06
Release date:2002-02-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Investigation of penetratin peptides. Part 1. The environment dependent conformational properties of penetratin and two of its derivatives.
J.Pept.Sci., 8, 2002
1H3O
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BU of 1h3o by Molmil
Crystal Structure of the Human TAF4-TAF12 (TAFII135-TAFII20) Complex
Descriptor: TRANSCRIPTION INITIATION FACTOR TFIID 135 KDA SUBUNIT, TRANSCRIPTION INITIATION FACTOR TFIID 20/15 KDA SUBUNITS
Authors:Werten, S, Mitschler, A, Moras, D.
Deposit date:2002-09-12
Release date:2002-09-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Subcomplex of Human Transcription Factor TFIID Formed by TATA Binding Protein-Associated Factors Htaf4 (Htaf(II)135) and Htaf12 (Htaf(II)20).
J.Biol.Chem., 277, 2002
2FCO
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BU of 2fco by Molmil
Crystal Structure of Bacillus stearothermophilus PrfA-Holliday Junction Resolvase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, recombination protein U (penicillin-binding protein related factor A)
Authors:Li, J, Jedrzejas, M.J.
Deposit date:2005-12-12
Release date:2006-11-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure, flexibility, and mechanism of the Bacillus stearothermophilus RecU Holliday junction resolvase.
Proteins, 68, 2007
5XBL
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BU of 5xbl by Molmil
Structure of nuclease in complex with associated protein
Descriptor: Associated protein, CRISPR-associated endonuclease Cas9/Csn1, RNA (98-MER)
Authors:Dong, D, Guo, M, Wang, S, Zhu, Y, Huang, Z.
Deposit date:2017-03-20
Release date:2017-06-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Structural basis of CRISPR-SpyCas9 inhibition by an anti-CRISPR protein
Nature, 546, 2017
7MSV
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BU of 7msv by Molmil
Solution Structure of Berberine Bound to a dGMP Fill-in G-Quadruplex in the PDGFR-b Promoter
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, BERBERINE, DNA (5'-D(*AP*AP*GP*GP*GP*AP*GP*GP*GP*CP*GP*GP*CP*GP*GP*GP*AP*CP*A)-3')
Authors:Wang, K.B, Dickerhoff, J, Yang, D.
Deposit date:2021-05-12
Release date:2021-10-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of Ternary Complex of Berberine Bound to a dGMP-Fill-In Vacancy G-Quadruplex Formed in the PDGFR-beta Promoter.
J.Am.Chem.Soc., 143, 2021
8QEK
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BU of 8qek by Molmil
Neck and tail of phage 812 after tail contraction (composite)
Descriptor: Anchor DNA forward strand (120-MER), Anchor DNA reverse strand (120-MER), Baseplate hub assembly protein, ...
Authors:Cienikova, Z, Siborova, M, Fuzik, T, Plevka, P.
Deposit date:2023-08-31
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Genome anchoring, retention, and release by neck proteins of Herelleviridae phage 812
To Be Published
7MPZ
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BU of 7mpz by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9
Descriptor: CRISPR-associated endonuclease Cas9
Authors:D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
Deposit date:2021-05-05
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and dynamic insights into the HNH nuclease of divergent Cas9 species.
J.Struct.Biol., 214, 2021
6Y2D
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BU of 6y2d by Molmil
Crystal structure of the second KH domain of FUBP1
Descriptor: Far upstream element-binding protein 1, GLYCEROL, SULFATE ION
Authors:Ni, X, Chaikuad, A, Joerger, A.C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-15
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
6Y2C
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BU of 6y2c by Molmil
Crystal structure of the third KH domain of FUBP1
Descriptor: 1,2-ETHANEDIOL, Far upstream element-binding protein 1, ZINC ION
Authors:Ni, X, Joerger, A.C, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-15
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
7AJT
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BU of 7ajt by Molmil
Cryo-EM structure of the 90S-exosome super-complex (state Pre-A1-exosome)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E.
Deposit date:2020-09-29
Release date:2020-12-30
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome.
Mol.Cell, 81, 2021
8BR9
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BU of 8br9 by Molmil
Stapled peptide SP24 in complex with humanised RadA mutant HumRadA22
Descriptor: 4,6-diethylpyrimidin-2-amine, ADENOSINE-5'-DIPHOSPHATE, Breast cancer type 2 susceptibility protein, ...
Authors:Pantelejevs, T, Hyvonen, M.
Deposit date:2022-11-22
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
8RKU
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BU of 8rku by Molmil
Conformational Landscape of the Type V-K CRISPR-associated TransposonIntegration Assembly CAST V-K TnsC domain local-refinement map
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-target strand - LE, ...
Authors:Tenjo-Castano, F, Mesa, P, Montoya, G.
Deposit date:2023-12-30
Release date:2024-06-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Conformational landscape of the type V-K CRISPR-associated transposon integration assembly.
Mol.Cell, 84, 2024

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