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6LDE
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BU of 6lde by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96V AB5
Descriptor: CHLORIDE ION, HEME C, ZINC ION, ...
Authors:Song, W.J, Yu, J.
Deposit date:2019-11-21
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes.
Chem Sci, 12, 2021
6LDG
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BU of 6ldg by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96I AB5
Descriptor: CHLORIDE ION, HEME C, MAGNESIUM ION, ...
Authors:Song, W.J, Yu, J.
Deposit date:2019-11-21
Release date:2021-03-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes.
Chem Sci, 12, 2021
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
4KYA
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BU of 4kya by Molmil
Crystal structure of non-classical TS inhibitor 3 in complex with Toxoplasma gondii TS-DHFR
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Sharma, H, Anderson, K.S.
Deposit date:2013-05-28
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.263 Å)
Cite:Discovery of potent and selective inhibitors of Toxoplasma gondii thymidylate synthase for opportunistic infections.
ACS Med Chem Lett, 4, 2013
5GPL
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BU of 5gpl by Molmil
Crystal structure of Ccp1
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
6N8A
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BU of 6n8a by Molmil
Crystal structure of selenomethionine-containing AcaB from uropathogenic E. coli
Descriptor: CHLORIDE ION, transcription regulator AcaB
Authors:Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B.
Deposit date:2018-11-28
Release date:2020-07-15
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (3.4011 Å)
Cite:Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
6N8B
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BU of 6n8b by Molmil
Crystal structure of transcription regulator AcaB from uropathogenic E. coli
Descriptor: CALCIUM ION, transcription regulator AcaB
Authors:Luo, Z, Hancock, S.J, Schembri, M.A, Kobe, B.
Deposit date:2018-11-29
Release date:2020-07-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Comprehensive analysis of IncC plasmid conjugation identifies a crucial role for the transcriptional regulator AcaB.
Nat Microbiol, 5, 2020
7Y9N
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BU of 7y9n by Molmil
an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
Descriptor: SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2
Authors:Lu, G.W, Lin, X, Guo, L.Y, Lin, S.
Deposit date:2022-06-25
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022
7L5S
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BU of 7l5s by Molmil
Crystal Structure of Haemophilus influenzae MtsZ at pH 5.5
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, MOLYBDENUM ATOM, OXYGEN ATOM, ...
Authors:Struwe, M.A, Luo, Z, Kappler, U, Kobe, B.
Deposit date:2020-12-22
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes.
J.Biol.Chem., 296, 2021
7L5I
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BU of 7l5i by Molmil
Crystal Structure of Haemophilus influenzae MtsZ at pH 7.0
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Struwe, M.A, Luo, Z, Kappler, U, Kobe, B.
Deposit date:2020-12-22
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes.
J.Biol.Chem., 296, 2021
2N2K
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BU of 2n2k by Molmil
Ensemble structure of the closed state of Lys63-linked diubiquitin in the absence of a ligand
Descriptor: S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ubiquitin
Authors:Liu, Z, Gong, Z, Tang, C.
Deposit date:2015-05-10
Release date:2015-07-08
Last modified:2015-09-23
Method:SOLUTION NMR
Cite:Lys63-linked ubiquitin chain adopts multiple conformational states for specific target recognition.
Elife, 4, 2015
7L4X
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BU of 7l4x by Molmil
YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by two six-bp DNA duplexes in P3221 Crystal
Descriptor: 1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA w/N6A
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-12-21
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.
Nucleic Acids Res., 49, 2021
7L4Y
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BU of 7l4y by Molmil
YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by Two Six-bp DNA Duplexes in P212121 Crystal
Descriptor: 1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA 13mer
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-12-21
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.
Nucleic Acids Res., 49, 2021
7U8Z
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BU of 7u8z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ...
Authors:Watson, P.R, Cragin, A.D, Christianson, D.W.
Deposit date:2022-03-09
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
J.Med.Chem., 65, 2022
8VHH
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BU of 8vhh by Molmil
Engineered holo tryptophan synthase (Tm9D8*) derived from T. maritima TrpB
Descriptor: PHOSPHATE ION, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Porter, N.J, Johnston, K.E, Almhjell, P.J, Arnold, F.H.
Deposit date:2024-01-02
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A combinatorially complete epistatic fitness landscape in an enzyme active site.
Proc.Natl.Acad.Sci.USA, 121, 2024
2O8G
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BU of 2o8g by Molmil
Rat pp1c gamma complexed with mouse inhibitor-2
Descriptor: MANGANESE (II) ION, Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit
Authors:Hurley, T.D.
Deposit date:2006-12-12
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for regulation of protein phosphatase 1 by inhibitor-2.
J.Biol.Chem., 282, 2007
2O8A
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BU of 2o8a by Molmil
rat PP1cgamma complexed with mouse inhibitor-2
Descriptor: Protein phosphatase inhibitor 2, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit
Authors:Hurley, T.D.
Deposit date:2006-12-12
Release date:2007-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for regulation of protein phosphatase 1 by inhibitor-2.
J.Biol.Chem., 282, 2007
7N5U
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BU of 7n5u by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21)
Descriptor: DNA Strain II, DNA Strand I, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5W
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BU of 7n5w by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23)
Descriptor: 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7N5V
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BU of 7n5v by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2022-06-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
6BLQ
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BU of 6blq by Molmil
Crystal Structure of IAg7 in complex with insulin mimotope p8E9E
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2017-11-11
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6C4Y
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BU of 6c4y by Molmil
Cross-alpha Amyloid-like Structure alphaAmG
Descriptor: Cross-alpha Amyloid-like Structure alphaAmG
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6C51
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BU of 6c51 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6BLX
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BU of 6blx by Molmil
Crystal structure of IAg7 in complex with insulin mimotope p8G9E
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Y, Dai, S.
Deposit date:2017-11-11
Release date:2017-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BLR
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BU of 6blr by Molmil
Crystal Structure of IAg7 in complex with insulin mimotope p8E9E6SS
Descriptor: 1,2-ETHANEDIOL, H2-Ab1 protein, IAg7 alpha chain
Authors:Wang, Y, Dai, S.
Deposit date:2017-11-11
Release date:2017-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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