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6SAD
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BU of 6sad by Molmil
Structure of 14-3-3 gamma in complex with double phosphorylated caspase-2 peptide on Ser139 and Ser164
Descriptor: 14-3-3 protein gamma, Caspase-2
Authors:Kalabova, D, Obsil, T, Obsilova, V.
Deposit date:2019-07-16
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.753 Å)
Cite:14-3-3 protein binding blocks the dimerization interface of caspase-2.
Febs J., 287, 2020
3IDU
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BU of 3idu by Molmil
Crystal Structure of the CARDB domain of the PF1109 protein in complex with di-metal ions from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR193A
Descriptor: MANGANESE (II) ION, Uncharacterized protein
Authors:Forouhar, F, Neely, H, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-07-21
Release date:2009-08-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Northeast Structural Genomics Consortium Target PfR193A
To be Published
3I9I
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BU of 3i9i by Molmil
Crystal structure of human transthyretin variant A25T - #2
Descriptor: TRIETHYLENE GLYCOL, Transthyretin
Authors:Palmieri, L.C, Freire, J.B.B, Palhano, F.L, Azevedo, E.P.C, Foguel, D, Lima, L.M.T.R.
Deposit date:2009-07-11
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human transthyretin variant A25T - #2
To be Published
3F83
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BU of 3f83 by Molmil
Structure of fusion complex of the minor pilin CfaE and major pilin CfaB of CFA/I pili from ETEC E. coli
Descriptor: Fusion of the minor pilin CfaE and major pilin CfaB, SODIUM ION, SULFATE ION
Authors:Xia, D, Li, Y.F.
Deposit date:2008-11-11
Release date:2009-08-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of CFA/I fimbriae from enterotoxigenic Escherichia coli.
Proc.Natl.Acad.Sci.USA, 106, 2009
2MA7
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BU of 2ma7 by Molmil
Solution NMR Structure of Zinc finger protein Eos from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7992A
Descriptor: ZINC ION, Zinc finger protein Eos
Authors:Pulavarti, S.V, Mills, J.L, Wang, D, Jigabm, E, Hamilton, K, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-28
Release date:2013-09-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of Zinc finger protein Eos from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7992A
To be Published
7ZXA
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BU of 7zxa by Molmil
Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D)
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-20
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
6SCX
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BU of 6scx by Molmil
Crystal structure of the catalytic domain of human NUDT12 in complex with 7-methyl-guanosine-5'-triphosphate
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Peroxisomal NADH pyrophosphatase NUDT12
Authors:McCarthy, A.A, Chen, K.M, Wu, H, Li, L, Homolka, D, Gos, P, Fleury-Olela, F, Pillai, R.S.
Deposit date:2019-07-25
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Decapping Enzyme NUDT12 Partners with BLMH for Cytoplasmic Surveillance of NAD-Capped RNAs.
Cell Rep, 29, 2019
2MH5
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BU of 2mh5 by Molmil
Structure and NMR assignments of lantibiotic NAI-107 in DPC micelles
Descriptor: Lantibiotic 107891, dodecyl 2-(trimethylammonio)ethyl phosphate
Authors:Munch, D, Muller, A, Schneider, T, Kohl, B, Wenzel, M, Bandow, J, Maffioli, S, Sosio, M, Donadio, S, Wimmer, R, Sahl, H.
Deposit date:2013-11-18
Release date:2014-03-05
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:The Lantibiotic NAI-107 Binds to Bactoprenol-bound Cell Wall Precursors and Impairs Membrane Functions.
J.Biol.Chem., 289, 2014
3IAE
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BU of 3iae by Molmil
Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate
Descriptor: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION
Authors:Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J.
Deposit date:2009-07-13
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition.
J.Am.Chem.Soc., 132, 2010
6SDS
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BU of 6sds by Molmil
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2019-07-29
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 63, 2020
3FBL
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BU of 3fbl by Molmil
Crystal structure of ORF132 of the archaeal virus Acidianus Filamentous Virus 1 (AFV1)
Descriptor: CHLORIDE ION, Putative uncharacterized protein
Authors:Goulet, A, Leulliot, N, Prangishvili, D, van Tilbeurgh, H, Campanacci, V, Cambillau, C.
Deposit date:2008-11-19
Release date:2009-11-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Acidianus filamentous virus 1 coat proteins display a helical fold spanning the filamentous archaeal viruses lineage
Proc.Natl.Acad.Sci.USA, 106, 2009
2MAZ
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BU of 2maz by Molmil
Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bovine Apo Calbindin
Descriptor: Protein S100-G
Authors:Raikwal, N, Kumar, D.
Deposit date:2013-07-22
Release date:2013-08-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Prot3DNMR: A Simple and Swift NMR Strategy for Three-Dimensional Structure Determination of Proteins
To be Published
3IIR
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BU of 3iir by Molmil
Crystal Structure of Miraculin like protein from seeds of Murraya koenigii
Descriptor: Trypsin inhibitor
Authors:Gahloth, D, Selvakumar, P, Shee, C, Kumar, P, Sharma, A.K.
Deposit date:2009-08-03
Release date:2009-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cloning, sequence analysis and crystal structure determination of a miraculin-like protein from Murraya koenigii
Arch.Biochem.Biophys., 494, 2010
3W79
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BU of 3w79 by Molmil
Crystal Structure of azoreductase AzrC in complex with sulfone-modified azo dye Orange I
Descriptor: 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ogata, D, Yu, J, Ooi, T, Yao, M.
Deposit date:2013-02-27
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
6SGT
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BU of 6sgt by Molmil
Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc with cardiolipin
Descriptor: DARPin, Multidrug efflux pump subunit AcrB
Authors:Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F.
Deposit date:2019-08-05
Release date:2020-05-13
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
3IF6
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BU of 3if6 by Molmil
Crystal structure of OXA-46 beta-lactamase from P. aeruginosa
Descriptor: 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ...
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S.
Deposit date:2009-07-24
Release date:2010-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
3IK8
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BU of 3ik8 by Molmil
Structure-Based Design of Novel PIN1 Inhibitors (I)
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D, Greasley, S, Ferre, R.A, Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
2MA5
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BU of 2ma5 by Molmil
Solution NMR structure of PHD type Zinc finger domain of Lysine-specific demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7375C
Descriptor: Lysine-specific demethylase 5B, ZINC ION
Authors:Hassan, F, Ramelot, T.A, Yang, Y, Cort, J.R, Janjua, H, Kohan, E, Lee, D, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-28
Release date:2013-08-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of PHD type Zinc finger domain of Lysine-specific demethylase 5B (PLU-1/JARID1B) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7375C
To be Published
7ZYB
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BU of 7zyb by Molmil
BeKdgF with Ca
Descriptor: CALCIUM ION, Cupin, GLYCEROL
Authors:Fredslund, F, Teze, D, Welner, D.H.
Deposit date:2022-05-24
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BeKdgF with Ca
To Be Published
7ZYC
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BU of 7zyc by Molmil
BeKdgF with Zn
Descriptor: Cupin, GLYCEROL, ZINC ION
Authors:Fredslund, F, Teze, D, Welner, D.H.
Deposit date:2022-05-24
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:BeKdgF with Ca
To Be Published
3FEW
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BU of 3few by Molmil
Structure and Function of Colicin S4, a colicin with a duplicated receptor binding domain
Descriptor: Colicin S4, SODIUM ION
Authors:Arnold, T, Linke, D, Zeth, K.
Deposit date:2008-12-01
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure and Function of Colicin S4, a Colicin with a Duplicated Receptor-binding Domain
J.Biol.Chem., 284, 2009
2MBL
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BU of 2mbl by Molmil
Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
Descriptor: Top7 Fold Protein Top7m13
Authors:Liu, G, Zanghellini, A.L, Chan, K, Xiao, R, Janjua, H, Kogan, S, Maglaqui, M, Ciccosanti, C, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-08-02
Release date:2013-11-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution NMR Structure of De novo designed Top7 Fold Protein Top7m13, Northeast Structural Genomics Consortium (NESG) Target OR33
To be Published
1DXO
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BU of 1dxo by Molmil
Crystal structure of human NAD[P]H-QUINONE oxidoreductase CO with 2,3,5,6,tetramethyl-P-benzoquinone (duroquinone) at 2.5 Angstrom resolution
Descriptor: DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE
Authors:Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M.
Deposit date:2000-01-12
Release date:2000-04-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
6SKY
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BU of 6sky by Molmil
FAT and kinase domain of CtTel1
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
Authors:Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
Deposit date:2019-08-16
Release date:2019-10-30
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
3IPI
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BU of 3ipi by Molmil
Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei
Descriptor: Geranyltranstransferase, MALONIC ACID
Authors:Kumaran, D, Mohammed, M.B, Brown, A, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-08-17
Release date:2009-09-08
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a Geranyltranstransferase from the Methanosarcina mazei
To be Published

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