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4KYK
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BU of 4kyk by Molmil
Crystal structure of mouse glyoxalase I complexed with indomethacin
Descriptor: INDOMETHACIN, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
5ZAT
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BU of 5zat by Molmil
Crystal structure of 5-carboxylcytosine containing decamer dsDNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*(CAC)P*GP*CP*TP*GP*G)-3')
Authors:Fu, T.R, Zhang, L.
Deposit date:2018-02-08
Release date:2019-02-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6E8J
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BU of 6e8j by Molmil
Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation
Descriptor: Major facilitator family transporter
Authors:Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
Deposit date:2018-07-30
Release date:2019-08-14
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (3.091 Å)
Cite:Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
1EYY
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BU of 1eyy by Molmil
CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI.
Descriptor: ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A.
Deposit date:2000-05-09
Release date:2000-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000
4KYH
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BU of 4kyh by Molmil
Crystal structure of mouse glyoxalase I complexed with zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
Descriptor: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
Authors:Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
Deposit date:2007-03-16
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
5XBM
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BU of 5xbm by Molmil
Structure of SCARB2-JL2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome membrane protein 2, ...
Authors:Zhang, X, Yang, P, Wang, N, Zhang, J, Li, J, Guo, H, Yin, X, Rao, Z, Wang, X, Zhang, L.
Deposit date:2017-03-20
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:The binding of a monoclonal antibody to the apical region of SCARB2 blocks EV71 infection.
Protein Cell, 8, 2017
1NYJ
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BU of 1nyj by Molmil
The closed state structure of M2 protein H+ channel by solid state NMR spectroscopy
Descriptor: Matrix protein M2
Authors:Nishimura, K, Kim, S, Zhang, L, Cross, T.A.
Deposit date:2003-02-12
Release date:2003-03-25
Last modified:2024-05-22
Method:SOLID-STATE NMR
Cite:The closed state of a H+ channel helical bundle combining precise orientational and distance restraints from solid state NMR
Biochemistry, 41, 2002
5ZMD
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BU of 5zmd by Molmil
Crystal structure of FTO in complex with m6dA modified ssDNA
Descriptor: Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ...
Authors:Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F.
Deposit date:2018-04-02
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2RJG
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BU of 2rjg by Molmil
Crystal structure of biosynthetic alaine racemase from Escherichia coli
Descriptor: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
Descriptor: D-alanine-D-alanine ligase
Authors:Wu, D, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-05-10
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
2RJH
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BU of 2rjh by Molmil
Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
Descriptor: Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
8A4Q
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BU of 8a4q by Molmil
crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro.
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Ibrahim, M, Hilgenfeld, R, Zhang, L.
Deposit date:2022-06-13
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
4GWG
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BU of 4gwg by Molmil
Crystal Structure Analysis of 6-phosphogluconate dehydrogenase apo-form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-09-03
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3907 Å)
Cite:Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
4GPZ
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BU of 4gpz by Molmil
Crystal structure of human B type phosphoglycerate mutase H11 phosphorylated form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Phosphoglycerate mutase 1
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-08-22
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tyr26 phosphorylation of PGAM1 provides a metabolic advantage to tumours by stabilizing the active conformation.
Nat Commun, 4, 2013
4GWK
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BU of 4gwk by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase complexed with 3-phosphoglyceric acid
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PHOSPHOGLYCERIC ACID, 6-phosphogluconate dehydrogenase, ...
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-09-03
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.534 Å)
Cite:Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
4GXO
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BU of 4gxo by Molmil
Crystal structure of Staphylococcus aureus protein SarZ mutant C13E
Descriptor: GLYCEROL, MarR family regulatory protein
Authors:Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C.
Deposit date:2012-09-04
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
6KX9
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BU of 6kx9 by Molmil
Crystal structure of 8-mer peptide from avian influenza H5N1 virus in complex with BF2*1501
Descriptor: 8-pepide (ARG-ARG-ALA-LEU-ARG-GLU-GLY-TYR), Beta-2-microglobulin, MHC class I
Authors:Xiao, L, Zhang, L.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Structures of the MHC-I molecule BF2*1501 disclose the preferred presentation of an H5N1 virus-derived epitope.
J.Biol.Chem., 295, 2020
6YNQ
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BU of 6ynq by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
Descriptor: (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-04-14
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6YVF
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BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4HQM
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BU of 4hqm by Molmil
The crystal structure of QsrR-menadione complex
Descriptor: 2-methylnaphthalene-1,4-diol, QsrR protein
Authors:Ji, Q, Zhang, L, Jones, M.B, Sun, F, Deng, X, Liang, H, Brugarolas, P, Gao, N, Peterson, S.N, Lan, L, Bae, T, He, C.
Deposit date:2012-10-25
Release date:2013-03-06
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR.
Proc.Natl.Acad.Sci.USA, 110, 2013
5IDK
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BU of 5idk by Molmil
Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor
Descriptor: ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol, DIMETHYL SULFOXIDE, ...
Authors:Hilgenfeld, R, Zhang, L.
Deposit date:2016-02-24
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Peptide-Boronic Acid Inhibitors of Flaviviral Proteases: Medicinal Chemistry and Structural Biology.
J. Med. Chem., 60, 2017
5KC2
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BU of 5kc2 by Molmil
Negative stain structure of Vps15/Vps34 complex
Descriptor: Phosphatidylinositol 3-kinase VPS34, Serine/threonine-protein kinase VPS15
Authors:Kirsten, M.L, Zhang, L, Ohashi, Y, Perisic, O, Williams, R.L, Sachse, C.
Deposit date:2016-06-04
Release date:2016-10-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (28 Å)
Cite:Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
5KC1
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BU of 5kc1 by Molmil
Structure of the C-terminal dimerization domain of Atg38
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, Autophagy-related protein 38, ...
Authors:Ohashi, Y, Soler, N, Garcia-Ortegon, M, Zhang, L, Perisic, O, Masson, G.R, Johnson, C.M, Williams, R.J.
Deposit date:2016-06-04
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
3CVA
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BU of 3cva by Molmil
Human Bcl-xL containing a Trp to Ala mutation at position 137
Descriptor: Apoptosis regulator Bcl-X
Authors:Feng, Y, Zhang, L, Hu, T, Shen, X, Chen, K, Jiang, H, Liu, D.
Deposit date:2008-04-18
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A conserved hydrophobic core at Bcl-x(L) mediates its structural stability and binding affinity with BH3-domain peptide of pro-apoptotic protein
Arch.Biochem.Biophys., 484, 2009

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