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7W75
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BU of 7w75 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form I
Descriptor: E3 ubiquitin-protein ligase BRE1, Ubiquitin-conjugating enzyme E2 2
Authors:Shi, M, Zhao, J, Xiang, S.
Deposit date:2021-12-03
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
7W76
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BU of 7w76 by Molmil
Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II
Descriptor: E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ...
Authors:Shi, M, Zhao, J, Xiang, S.
Deposit date:2021-12-03
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
8P01
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BU of 8p01 by Molmil
Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer
Descriptor: 3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one, Stimulator of interferon genes protein
Authors:Nar, H.
Deposit date:2023-05-09
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer.
J.Med.Chem., 66, 2023
7KP6
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BU of 7kp6 by Molmil
Structure of Ack1 kinase in complex with a selective inhibitor
Descriptor: 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION
Authors:Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A.
Deposit date:2020-11-10
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance.
Nat Commun, 13, 2022
7D5C
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BU of 7d5c by Molmil
IleRS in complex with a tRNA site inhibitor
Descriptor: (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid, 1,2-ETHANEDIOL, Isoleucine--tRNA ligase, ...
Authors:Chen, B, Luo, S, Zhou, H.
Deposit date:2020-09-25
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Inhibitory mechanism of reveromycin A at the tRNA binding site of a class I synthetase.
Nat Commun, 12, 2021
4LA2
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BU of 4la2 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
Authors:Zhang, Y, Li, C.
Deposit date:2013-06-19
Release date:2014-01-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
7YHK
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BU of 7yhk by Molmil
Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5
Descriptor: 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, Q, Li, S, Li, T, Xue, W, Sun, H.
Deposit date:2022-07-13
Release date:2022-08-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
5WWU
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BU of 5wwu by Molmil
Crystal Structure of HLA-A*2402 in complex with 2009 pandemic influenza A(H1N1) virus and avian influenza A(H5N1) virus-derived peptide H1-25
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2017-01-05
Release date:2018-01-17
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
1Z3C
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BU of 1z3c by Molmil
Encephalitozooan cuniculi mRNA Cap (Guanine-N7) Methyltransferasein complexed with AzoAdoMet
Descriptor: S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, mRNA CAPPING ENZYME
Authors:Hausmann, S, Zhang, S, Fabrega, C, Schneller, S.W, Lima, C.D, Shuman, S.
Deposit date:2005-03-11
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis.
J.Biol.Chem., 280, 2005
3A5U
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BU of 3a5u by Molmil
Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex
Descriptor: DNA (31-MER), Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Manjunath, G.P, Sekar, K, Muniyappa, K, Vijayan, M.
Deposit date:2009-08-12
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex.
To be Published, 2009
1HN9
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BU of 1hn9 by Molmil
CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III
Descriptor: BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, PHOSPHATE ION
Authors:Qiu, X, Janson, C.A, Konstantinidis, A.K, Nwagwu, S, Silverman, C, Smith, W.W, Khandekar, S.K, Lonsdale, J, Abdel-Meguid, S.S.
Deposit date:2000-12-07
Release date:2000-12-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of beta-ketoacyl-acyl carrier protein synthase III. A key condensing enzyme in bacterial fatty acid biosynthesis.
J.Biol.Chem., 274, 1999
2K7X
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BU of 2k7x by Molmil
solution structure of C-terminal domain of SARS-CoV main protease
Descriptor: SARS-CoV main protease
Authors:Xia, B, Zhong, N.
Deposit date:2008-08-28
Release date:2009-05-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer.
Protein Sci., 18, 2009
5XEB
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BU of 5xeb by Molmil
Structure of the envelope glycoprotein of Dhori virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein
Authors:Peng, R, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2017-04-03
Release date:2017-10-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structures of human-infectingThogotovirusfusogens support a common ancestor with insect baculovirus
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5A9Y
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BU of 5a9y by Molmil
Structure of ppGpp BipA
Descriptor: GTP-BINDING PROTEIN, GUANOSINE-5',3'-TETRAPHOSPHATE
Authors:Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G.
Deposit date:2015-07-23
Release date:2015-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
5A9X
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BU of 5a9x by Molmil
Structure of GDP bound BipA
Descriptor: GTP-BINDING PROTEIN, GUANOSINE-5'-DIPHOSPHATE
Authors:Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.-G.
Deposit date:2015-07-23
Release date:2015-08-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
5XEA
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BU of 5xea by Molmil
Structure of Thogoto virus envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Peng, R, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2017-04-03
Release date:2017-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Structures of human-infecting Thogotovirus fusogens support a common ancestor with insect baculovirus
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5L0E
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BU of 5l0e by Molmil
Crystal Structure of Autotaxin and Compound 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one, CHLORIDE ION, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
5AVA
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BU of 5ava by Molmil
Crystal structure of PHA-E lectin in complex with bisected glycan
Descriptor: CALCIUM ION, Erythroagglutinin, MANGANESE (II) ION, ...
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2015-06-12
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
Sci Rep, 6, 2016
4M7C
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BU of 4m7c by Molmil
Crystal structure of the TRF2-binding motif of SLX4 in complex with the TRFH domain of TRF2
Descriptor: Peptide from Structure-specific endonuclease subunit SLX4, Telomeric repeat-binding factor 2
Authors:Wan, B, Chen, Y, Wu, J, Liu, Y, Lei, M.
Deposit date:2013-08-12
Release date:2013-09-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:SLX4 Assembles a Telomere Maintenance Toolkit by Bridging Multiple Endonucleases with Telomeres
Cell Rep, 4, 2013
3NS7
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BU of 3ns7 by Molmil
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
Descriptor: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
Authors:Galatsis, P.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010
4LT4
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BU of 4lt4 by Molmil
Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ...
Authors:Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-07-23
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
To be Published
6UEP
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BU of 6uep by Molmil
Structure of A. thaliana TBP bound to a DNA site with a C-C mismatch
Descriptor: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*CP*TP*TP*TP*AP*TP*AP*GP*C)-3'), FORMIC ACID, ...
Authors:Schumacher, M.A, Al-hashimi, H.
Deposit date:2019-09-22
Release date:2020-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:DNA mismatches reveal conformational penalties in protein-DNA recognition.
Nature, 587, 2020
5C8F
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BU of 5c8f by Molmil
Crystal structure of light-exposed full-length Thermus thermophilus CarH bound to cobalamin
Descriptor: CHLORIDE ION, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
6B09
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BU of 6b09 by Molmil
Crystal structure of HsNUDT16 in complex with diADPR (soaked)
Descriptor: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-09-14
Release date:2019-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5C8A
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BU of 5c8a by Molmil
Crystal structure of a truncated form of Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015

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