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4EUL
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BU of 4eul by Molmil
Crystal structure of enhanced Green Fluorescent Protein to 1.35A resolution reveals alternative conformations for Glu222
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Jones, D.D, Arpino, J.A.J, Rizkallah, P.J.
Deposit date:2012-04-25
Release date:2012-10-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of enhanced green fluorescent protein to 1.35 a resolution reveals alternative conformations for glu222.
Plos One, 7, 2012
1TV3
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BU of 1tv3 by Molmil
Crystal structure of the N-methyl-hydroxylamine MtmB complex
Descriptor: 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1
Authors:Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
Deposit date:2004-06-26
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
1UGH
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BU of 1ugh by Molmil
CRYSTAL STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE IN COMPLEX WITH A PROTEIN INHIBITOR: PROTEIN MIMICRY OF DNA
Descriptor: PROTEIN (URACIL-DNA GLYCOSYLASE INHIBITOR), PROTEIN (URACIL-DNA GLYCOSYLASE)
Authors:Mol, C.D, Arvai, A.S, Sanderson, R.J, Slupphaug, G, Kavli, B, Krokan, H.E, Mosbaugh, D.W, Tainer, J.A.
Deposit date:1999-02-05
Release date:1999-02-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human uracil-DNA glycosylase in complex with a protein inhibitor: protein mimicry of DNA.
Cell(Cambridge,Mass.), 82, 1995
1TV2
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BU of 1tv2 by Molmil
Crystal structure of the hydroxylamine MtmB complex
Descriptor: 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1
Authors:Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
Deposit date:2004-06-26
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
1TV4
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BU of 1tv4 by Molmil
Crystal structure of the sulfite MtmB complex
Descriptor: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1, SULFATE ION
Authors:Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
Deposit date:2004-06-26
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
1WAK
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BU of 1wak by Molmil
X-ray structure of SRPK1
Descriptor: 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE SPRK1
Authors:Ngo, J.C, Gullingsrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.D, Adams, J.A, Mccammon, J.A, Ghosh, G.
Deposit date:2004-10-26
Release date:2006-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Sr Protein Kinase 1 is Resilient to Inactivation.
Structure, 15, 2007
3BVD
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BU of 3bvd by Molmil
Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Chen, Y, Fee, J.A, Stout, C.D.
Deposit date:2008-01-07
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Crystallographic Studies of Xe and Kr Binding within the Large Internal Cavity of Cytochrome ba3 from Thermus thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases.
Biochemistry, 47, 2008
1XEE
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BU of 1xee by Molmil
Solution structure of the Chemotaxis Inhibitory Protein of Staphylococcus aureus
Descriptor: chemotaxis-inhibiting protein CHIPS
Authors:Haas, P.J, de Haas, C.J, Poppelier, M.J, van Kessel, K.P, van Strijp, J.A, Dijkstra, K, Scheek, R.M, Fan, H, Kruijtzer, J.A, Liskamp, R.M, Kemmink, J.
Deposit date:2004-09-10
Release date:2005-09-27
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The structure of the C5a receptor-blocking domain of chemotaxis inhibitory protein of Staphylococcus aureus is related to a group of immune evasive molecules
J.Mol.Biol., 353, 2005
6WUP
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BU of 6wup by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ...
Authors:Kaczmarski, J.A, Mahawaththa, M.C.
Deposit date:2020-05-05
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Nat Commun, 11, 2020
7Z7D
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BU of 7z7d by Molmil
Tubulin-Todalam-Vinblastine-complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Roy, B, Prota, A.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2022-03-15
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
1Z4U
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BU of 1z4u by Molmil
hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585
Descriptor: (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.
Deposit date:2005-03-16
Release date:2005-06-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid
Bioorg.Med.Chem.Lett., 15, 2005
6M9J
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BU of 6m9j by Molmil
Racemic-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712
Descriptor: Ice nucleation protein
Authors:Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A.
Deposit date:2018-08-23
Release date:2019-03-27
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (0.9 Å)
Cite:Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ.
IUCrJ, 6, 2019
4U87
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BU of 4u87 by Molmil
Crystal structure of the Ba-soaked C2 crystal form of pMV158 replication initiator RepB (P3221 space group)
Descriptor: BARIUM ION, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Boer, D.R, Ruiz Maso, J.A, del Solar, G, Coll, M.
Deposit date:2014-08-01
Release date:2015-08-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Conformational plasticity of RepB, the replication initiator protein of promiscuous streptococcal plasmid pMV158.
Sci Rep, 6, 2016
6MCD
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BU of 6mcd by Molmil
Crystal Structure of tris-thiolate Pb(II) complex with adjacent water in a de novo Three Stranded Coiled Coil Peptide
Descriptor: LEAD (II) ION, Pb(II)(GRAND Coil Ser L12CL16A)-, ZINC ION
Authors:Tolbert, A.E, Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2018-08-31
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Heteromeric three-stranded coiled coils designed using a Pb(II)(Cys)3template mediated strategy.
Nat.Chem., 12, 2020
6MG9
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BU of 6mg9 by Molmil
Human Obscurin Ig57 Domain
Descriptor: Obscurin
Authors:Wright, N.T, Whitley, J.A.
Deposit date:2018-09-13
Release date:2019-02-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Obscurin is a semi-flexible molecule in solution.
Protein Sci., 28, 2019
7XT3
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BU of 7xt3 by Molmil
Crystal Structure of Hepatitis virus A 2C protein 128-335 aa
Descriptor: Genome polyprotein, PHOSPHATE ION
Authors:Chen, P, Wojdyla, J.A, Li, Z, Wang, M, Cui, S.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA.
Nucleic Acids Res., 50, 2022
7Z53
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BU of 7z53 by Molmil
Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
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:Pfanzagl, V, Brito, J.A.
Deposit date:2022-03-07
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
J.Biol.Chem., 298, 2022
6M9I
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BU of 6m9i by Molmil
L-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712
Descriptor: Ice nucleation protein
Authors:Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A.
Deposit date:2018-08-23
Release date:2019-03-27
Last modified:2024-03-13
Method:ELECTRON CRYSTALLOGRAPHY (0.9 Å)
Cite:Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ.
IUCrJ, 6, 2019
4UNP
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BU of 4unp by Molmil
Mtb TMK in complex with compound 34
Descriptor: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-30
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
Descriptor: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-30
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
Descriptor: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
Authors:Read, J.A, Hussein, S, Gingell, H, Tucker, J.
Deposit date:2014-05-30
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
6MCC
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BU of 6mcc by Molmil
CryoEM structure of AcrIIA2 homolog in complex with CRISPR-Cas9
Descriptor: Anti-CRISPR AcrIIA2 Homolog, CRISPR-associated endonuclease Cas9, Single guide RNA (116-MER)
Authors:Jiang, F, Liu, J.J, Doudna, J.A.
Deposit date:2018-08-31
Release date:2019-01-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Temperature-Responsive Competitive Inhibition of CRISPR-Cas9.
Mol. Cell, 73, 2019
6M40
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BU of 6m40 by Molmil
Crystal structure of the NS3-like helicase from Alongshan virus
Descriptor: NS3-like protein
Authors:Gao, X.P, Zhu, K.X, Chen, P, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2020-03-05
Release date:2020-04-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of the NS3-like helicase from Alongshan virus.
Iucrj, 7, 2020
6M7M
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BU of 6m7m by Molmil
rac-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712
Descriptor: L-GSTSTA from ice nucleation protein, inaZ, and its enantiomer, ...
Authors:Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A.
Deposit date:2018-08-20
Release date:2019-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ.
IUCrJ, 6, 2019
6MCB
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BU of 6mcb by Molmil
CryoEM structure of AcrIIA2 in complex with CRISPR-Cas9
Descriptor: Anti-CRISPR protein AcrIIA2, CRISPR-associated endonuclease Cas9, Single guide RNA (116-MER)
Authors:Jiang, F, Liu, J.J, Doudna, J.A.
Deposit date:2018-08-31
Release date:2019-01-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Temperature-Responsive Competitive Inhibition of CRISPR-Cas9.
Mol. Cell, 73, 2019

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