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2PZ9
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BU of 2pz9 by Molmil
Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor
Descriptor: Putative regulatory protein, SULFATE ION
Authors:Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-05-17
Release date:2007-06-19
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
2LUZ
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BU of 2luz by Molmil
Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12
Descriptor: CalU16
Authors:Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-22
Release date:2012-10-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
6IKM
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BU of 6ikm by Molmil
Crystal structure of SpuE-Spermidine in complex with ScFv5
Descriptor: Polyamine transport protein, SPERMIDINE, SULFATE ION, ...
Authors:Wu, D, Sun, X.
Deposit date:2018-10-16
Release date:2019-12-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:A Potent Anti-SpuE Antibody Allosterically Inhibits Type III Secretion System and Attenuates Virulence of Pseudomonas Aeruginosa.
J.Mol.Biol., 431, 2019
4C46
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BU of 4c46 by Molmil
ANDREI-N-LVPAS fused to GCN4 adaptors
Descriptor: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H.
Deposit date:2013-08-30
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
2MKZ
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BU of 2mkz by Molmil
solution structure of a protein C-terminal domain
Descriptor: Proteasomal ubiquitin receptor ADRM1
Authors:Feng, Y, Jiao, L.
Deposit date:2014-02-17
Release date:2014-12-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mechanism of the Rpn13-induced activation of Uch37
Protein Cell, 5, 2014
7VW3
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BU of 7vw3 by Molmil
Cryo-EM structure of SaCas9-sgRNA-DNA ternary complex
Descriptor: CRISPR-associated endonuclease Cas9, MAGNESIUM ION, Non-target DNA strand, ...
Authors:Du, W.H, Qian, J.Q, Huang, Q.
Deposit date:2021-11-09
Release date:2023-03-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Full-Length Model of SaCas9-sgRNA-DNA Complex in Cleavage State.
Int J Mol Sci, 24, 2023
5YTT
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BU of 5ytt by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCAUGU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*GP*U)-3'), SULFATE ION
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
5YTS
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BU of 5yts by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCUUCU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*CP*UP*UP*C)-3'), SULFATE ION
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
5YTV
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BU of 5ytv by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCAUCU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*CP*U)-3')
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
5YTX
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BU of 5ytx by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCAACU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*AP*CP*U)-3')
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
6KDY
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BU of 6kdy by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NAD.
Descriptor: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, HEXAETHYLENE GLYCOL, Isocitrate dehydrogenase [NAD] subunit alpha, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-03
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
6KE3
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BU of 6ke3 by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-03
Release date:2019-09-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
6KDF
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BU of 6kdf by Molmil
Crystal structure of the alpha beta heterodimer of human IDH3 in APO form.
Descriptor: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit beta
Authors:Sun, P, Ding, J.
Deposit date:2019-07-02
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
6KDE
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BU of 6kde by Molmil
Crystal structure of the alpha beta heterodimer of human IDH3 in complex with Ca(2+)
Descriptor: CALCIUM ION, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ...
Authors:Sun, P, Ding, J.
Deposit date:2019-07-02
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
6MO5
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BU of 6mo5 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50228 complex
Descriptor: MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
Authors:Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MOO
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BU of 6moo by Molmil
Co-Crystal structure of P. aeruginosa LpxC-achn975 complex
Descriptor: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MO4
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BU of 6mo4 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50067 complex
Descriptor: MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
Authors:Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MOD
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BU of 6mod by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50432 complex
Descriptor: GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ...
Authors:Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
2MJV
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BU of 2mjv by Molmil
Solution structures of second bromodomain of Brd4 with di-acetylated Twist peptide
Descriptor: Bromodomain-containing protein 4, Twist-related protein 1
Authors:Zeng, L, Zhou, M.
Deposit date:2014-01-16
Release date:2014-03-19
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Disrupting the Interaction of BRD4 with Diacetylated Twist Suppresses Tumorigenesis in Basal-like Breast Cancer.
Cancer Cell, 25, 2014
2PH6
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BU of 2ph6 by Molmil
Crystal Structure of Human Beta Secretase Complexed with inhibitor
Descriptor: 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION
Authors:Munshi, S.
Deposit date:2007-04-10
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2PH8
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BU of 2ph8 by Molmil
Crystal Structure of Human Beta Secretase Complexed with inhibitor
Descriptor: Beta-secretase 1, N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE, SULFATE ION
Authors:Munshi, S.
Deposit date:2007-04-10
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QZK
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BU of 2qzk by Molmil
Crystal structure of human Beta Secretase complexed with I21
Descriptor: 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1
Authors:Munshi, S.
Deposit date:2007-08-16
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2MOQ
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BU of 2moq by Molmil
Solution Structure and Molecular determinants of Hemoglobin Binding of the first NEAT Domain of IsdB in Staphylococcus aureus
Descriptor: Iron-regulated surface determinant protein B
Authors:Fonner, B.A, Tripet, B.P, Eilers, B.J, Stanisich, J, Sullivan-Springhetti, R.K, Moore, R, Lui, M, Lei, B, Copie, V.
Deposit date:2014-04-29
Release date:2014-07-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure and Molecular Determinants of Hemoglobin Binding of the First NEAT Domain of IsdB in Staphylococcus aureus.
Biochemistry, 53, 2014

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