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1NYC
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BU of 1nyc by Molmil
Staphostatins resemble lipocalins, not cystatins in fold.
Descriptor: CHLORIDE ION, SULFATE ION, cysteine protease inhibitor
Authors:Rzychon, M, Filipek, R, Sabat, A, Kosowska, K, Dubin, A, Potempa, J, Bochtler, M.
Deposit date:2003-02-12
Release date:2003-09-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Staphostatins resemble lipocalins, not cystatins in fold.
Protein Sci., 12, 2003
4ZT0
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BU of 4zt0 by Molmil
Crystal structure of catalytically-active Streptococcus pyogenes Cas9 in complex with single-guide RNA at 2.9 Angstrom resolution
Descriptor: CRISPR-associated endonuclease Cas9, single-guide RNA
Authors:Jiang, F, Doudna, J.A.
Deposit date:2015-05-14
Release date:2015-07-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Cas9-guide RNA complex preorganized for target DNA recognition.
Science, 348, 2015
4PT4
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BU of 4pt4 by Molmil
Crystal structure Analysis of N terminal region containing the dimerization domain and DNA binding domain of HU protein(Histone like protein-DNA binding) from Mycobacterium tuberculosis [H37Ra]
Descriptor: DNA-binding protein HU homolog, FORMIC ACID
Authors:Bhowmick, T, Ramagopal, U.A, Ghosh, S, Nagaraja, V, Ramakumar, S.
Deposit date:2014-03-10
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Targeting Mycobacterium tuberculosis nucleoid-associated protein HU with structure-based inhibitors
Nat Commun, 5, 2014
5AI7
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BU of 5ai7 by Molmil
ParM doublet model
Descriptor: PLASMID SEGREGATION PROTEIN PARM
Authors:Bharat, T.A.M, Murshudov, G.N, Sachse, C, Lowe, J.
Deposit date:2015-02-12
Release date:2015-04-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY
Cite:Structures of Actin-Like Parm Filaments Show Architecture of Plasmid-Segregating Spindles
Nature, 523, 2015
7KRZ
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BU of 7krz by Molmil
Human mitochondrial LONP1 in complex with Bortezomib
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Endogenous co-purified substrate, ...
Authors:Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
Deposit date:2020-11-20
Release date:2021-02-24
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
5I12
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BU of 5i12 by Molmil
Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
Descriptor: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-05
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
3VA7
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BU of 3va7 by Molmil
Crystal structure of the Kluyveromyces lactis Urea Carboxylase
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, GLYCEROL, KLLA0E08119p, ...
Authors:Fan, C, Xiang, S.
Deposit date:2011-12-29
Release date:2012-02-01
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of urea carboxylase provides insights into the carboxyltransfer reaction
J.Biol.Chem., 287, 2012
7O2A
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BU of 7o2a by Molmil
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15
Descriptor: (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
Authors:Steuber, H.
Deposit date:2021-03-30
Release date:2021-07-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
3VCD
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BU of 3vcd by Molmil
Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32
Descriptor: CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION
Authors:Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
Deposit date:2012-01-03
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
5I3P
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BU of 5i3p by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27
Descriptor: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-02-10
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
3T53
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BU of 3t53 by Molmil
Crystal structures of the extrusion state of the CusBA adaptor-transporter complex
Descriptor: COPPER (II) ION, Cation efflux system protein CusA, Cation efflux system protein CusB
Authors:Su, C.-C, Long, F, Yu, E.W.
Deposit date:2011-07-26
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System.
J.Mol.Biol., 422, 2012
1O0P
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BU of 1o0p by Molmil
Solution Structure of the third RNA Recognition Motif (RRM) of U2AF65 in complex with an N-terminal SF1 peptide
Descriptor: Splicing Factor SF1, Splicing factor U2AF 65 kDa subunit
Authors:Selenko, P, Gregorovic, G, Sprangers, R, Stier, G, Rhani, Z, Kramer, A, Sattler, M.
Deposit date:2003-02-24
Release date:2003-05-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural Basis for the molecular recognition between human splicing factors U2AF65 and SF1/mBBP
Mol.Cell, 11, 2003
7O2B
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BU of 7o2b by Molmil
X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6
Descriptor: (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
Authors:Steuber, H.
Deposit date:2021-03-30
Release date:2021-07-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
1ODP
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BU of 1odp by Molmil
PEPTIDE OF HUMAN APOA-I RESIDUES 166-185. NMR, 5 STRUCTURES AT PH 6.6, 37 DEGREES CELSIUS AND PEPTIDE:SDS MOLE RATIO OF 1:40
Descriptor: APOA-I PEPTIDE
Authors:Wang, G, Treleaven, W.D, Cushley, R.J.
Deposit date:1996-03-02
Release date:1996-06-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformation of human serum apolipoprotein A-I(166-185) in the presence of sodium dodecyl sulfate or dodecylphosphocholine by 1H-NMR and CD. Evidence for specific peptide-SDS interactions.
Biochim.Biophys.Acta, 1301, 1996
4ZT9
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BU of 4zt9 by Molmil
Nuclease-inactive Streptococcus pyogenes Cas9 (D10A/H840A, dCas9) in complex with single-guide RNA at 3.1 Angstrom resolution
Descriptor: CRISPR-associated endonuclease Cas9, single-guide RNA
Authors:Jiang, F, Doudna, J.A.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Cas9-guide RNA complex preorganized for target DNA recognition.
Science, 348, 2015
1ODR
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BU of 1odr by Molmil
PEPTIDE OF HUMAN APOA-I RESIDUES 166-185. NMR, 5 STRUCTURES AT PH 6.0, 37 DEGREES CELSIUS AND PEPTIDE:DPC MOLE RATIO OF 1:40
Descriptor: APOA-I PEPTIDE
Authors:Wang, G, Treleaven, W.D, Cushley, R.J.
Deposit date:1996-03-02
Release date:1996-06-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformation of human serum apolipoprotein A-I(166-185) in the presence of sodium dodecyl sulfate or dodecylphosphocholine by 1H-NMR and CD. Evidence for specific peptide-SDS interactions.
Biochim.Biophys.Acta, 1301, 1996
8A2V
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BU of 8a2v by Molmil
Room temperature structure of the ground state of AtPhot2LOV2 in space group P43212
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Engilberge, S, Caramello, N, Royant, A.
Deposit date:2022-06-06
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature.
Iucrj, 9, 2022
4P23
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BU of 4p23 by Molmil
J809.B5 TCR bound to IAb/3K
Descriptor: 3K peptide and MHC IAb beta chain,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ...
Authors:Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.
Deposit date:2014-02-28
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity.
J Immunol., 192, 2014
1NSY
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BU of 1nsy by Molmil
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rizzi, M, Nessi, C, Bolognesi, M, Galizzi, A, Coda, A.
Deposit date:1996-07-22
Release date:1997-07-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of NH3-dependent NAD+ synthetase from Bacillus subtilis.
EMBO J., 15, 1996
5I1T
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BU of 5i1t by Molmil
2.6 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Complex with Triacetylchitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Nocadello, S, Minasov, G, Shuvalova, L, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-05
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the SpoIID Lytic Transglycosylases Essential for Bacterial Sporulation.
J.Biol.Chem., 291, 2016
7OBP
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BU of 7obp by Molmil
Crystal structure of the human NCOA7-AS TLDc domain
Descriptor: NCOA7-AS
Authors:Blaise, M.
Deposit date:2021-04-23
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the TLDc domain of human NCOA7-AS.
Acta Crystallogr.,Sect.F, 77, 2021
5A13
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BU of 5a13 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
Descriptor: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Correia, H.D, Santos-Silva, T.
Deposit date:2015-04-27
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
8A4E
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BU of 8a4e by Molmil
Room temperature structure of AtPhot2LOV2 in a photostationary equilibrium
Descriptor: 6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Engilberge, S, Caramello, N, Royant, A.
Deposit date:2022-06-10
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature.
Iucrj, 9, 2022
3QW9
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BU of 3qw9 by Molmil
Crystal structure of betaglycan ZP-C domain
Descriptor: Transforming growth factor beta receptor type 3, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Lin, S.J, Jardetzky, T.S.
Deposit date:2011-02-27
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of betaglycan zona pellucida (ZP)-C domain provides insights into ZP-mediated protein polymerization and TGF-{beta} binding.
Proc.Natl.Acad.Sci.USA, 108, 2011
8A2W
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BU of 8a2w by Molmil
Room temperature structure of the ground state of AtPhot2LOV2 in space group P212121, as recovered 1620 seconds after light irradiation
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Engilberge, S, Caramello, N, Royant, A.
Deposit date:2022-06-06
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Slow protein dynamics probed by time-resolved oscillation crystallography at room temperature.
Iucrj, 9, 2022

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