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3LZY
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BU of 3lzy by Molmil
Crystal structure of Endothiapesin in complex with Xenon
Descriptor: Endothiapepsin, GLYCEROL, XENON
Authors:Behnen, J, Krueger, H, Klebe, G, Heine, A.
Deposit date:2010-03-02
Release date:2011-05-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Old acquantance rediscover: use of xenon/protein complexes as a generic tool for SAD phasing of inhouse data
To be Published
3JS1
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BU of 3js1 by Molmil
Crystal structure of adipocyte fatty acid binding protein covalently modified with 4-hydroxy-2-nonenal
Descriptor: Adipocyte fatty acid-binding protein, PHOSPHATE ION
Authors:Hellberg, K, Grimsrud, P.A, Kruse, A.C, Banaszak, L.J, Ohlendorf, D.H, Bernlohr, D.A.
Deposit date:2009-09-09
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:X-ray crystallographic analysis of adipocyte fatty acid binding protein (aP2) modified with 4-hydroxy-2-nonenal.
Protein Sci., 19, 2010
3JTE
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BU of 3jte by Molmil
Crystal structure of response regulator receiver domain Protein from clostridium thermocellum
Descriptor: Response regulator receiver protein
Authors:Fedorov, A.A, Fedorov, E.V, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-09-11
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of response regulator receiver domain Protein from clostridium thermocellum
To be Published
2LV2
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BU of 2lv2 by Molmil
Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural Genomics Consortium Target HR7614B
Descriptor: Insulinoma-associated protein 1, ZINC ION
Authors:Yang, Y, Ramelot, T.A, Cort, J.R, Shastry, R, Kohan, E, Janjua, H, Xiao, R, Acton, T, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural Genomics Consortium Target HR7614B (CASP Target)
To be Published
3JUV
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BU of 3juv by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
Descriptor: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
3K0J
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BU of 3k0j by Molmil
Crystal structure of the E. coli ThiM riboswitch in complex with thiamine pyrophosphate and the U1A crystallization module
Descriptor: MAGNESIUM ION, RNA (87-MER), THIAMINE DIPHOSPHATE, ...
Authors:Kulshina, N, Edwards, T.E, Ferre-D'Amare, A.R.
Deposit date:2009-09-24
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Thermodynamic analysis of ligand binding and ligand binding-induced tertiary structure formation by the thiamine pyrophosphate riboswitch.
Rna, 16, 2010
7EGO
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BU of 7ego by Molmil
X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527
Descriptor: 3-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propanoic acid, Fatty acid-binding protein, heart, ...
Authors:Takabayashi, M, Yokota, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Sugiyama, S.
Deposit date:2021-03-24
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe HA527
To Be Published
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
3K37
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BU of 3k37 by Molmil
Crystal Structure of B/Perth Neuraminidase in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3K3L
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BU of 3k3l by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ...
Authors:Clifton, M.C.
Deposit date:2009-10-02
Release date:2010-08-18
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3K5C
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BU of 3k5c by Molmil
Human BACE-1 complex with NB-216
Descriptor: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
Authors:Rondeau, J.-M.
Deposit date:2009-10-07
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.
Bioorg.Med.Chem.Lett., 20, 2010
3J8K
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BU of 3j8k by Molmil
Tilted state of actin, T2
Descriptor: Actin, alpha skeletal muscle
Authors:Galkin, V.E, Orlova, A, Vos, M.R, Schroder, G.F, Egelman, E.H.
Deposit date:2014-11-07
Release date:2015-01-14
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Near-atomic resolution for one state of f-actin.
Structure, 23, 2015
7EHX
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BU of 7ehx by Molmil
X-ray crystal strcture of F46C/L49C sperm whale myoglobin with an intramolecular disulfide bond
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal strcture of F46C/L49C sperm whale myoglobin with an intramolecular disulfide bond
To Be Published
2MDR
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BU of 2mdr by Molmil
Solution structure of the third double-stranded RNA-binding domain (dsRBD3) of human adenosine-deaminase ADAR1
Descriptor: Double-stranded RNA-specific adenosine deaminase
Authors:Barraud, P, Banerjee, S, Mohamed, W.I, Jantsch, M.F, Allain, F.H.
Deposit date:2013-09-17
Release date:2014-04-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A bimodular nuclear localization signal assembled via an extended double-stranded RNA-binding domain acts as an RNA-sensing signal for transportin 1.
Proc.Natl.Acad.Sci.USA, 111, 2014
7EJV
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BU of 7ejv by Molmil
The co-crystal structure of DYRK2 with YK-2-69
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
Authors:Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P.
Deposit date:2021-04-02
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
2ME0
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BU of 2me0 by Molmil
NMR Structure of the homeodomain transcription factor Gbx1 from Homo sapiens solved in the presence of the DNA sequence CGACTAATTAGTCG
Descriptor: Homeobox protein GBX-1
Authors:Proudfoot, A, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2013-09-20
Release date:2013-10-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure of the homeodomain transcription factor Gbx1 from Homo sapiens solved in the presence of the DNA sequence CGACTAATTAGTCG
To be Published
2M5X
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BU of 2m5x by Molmil
Novel method of protein purification for structural research. Example of ultra high resolution structure of SPI-2 inhibitor by X-ray and NMR spectroscopy.
Descriptor: Silk protease inhibitor 2
Authors:Lenarcic Zivkovic, M, Dvornyk, A, Kludkiewicz, B, Kopera, E, Zagorski-Ostoja, W, Grzelak, K, Zhukov, I, Bal, W.
Deposit date:2013-03-12
Release date:2014-03-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Atomic resolution structure of a protein prepared by non-enzymatic His-tag removal. Crystallographic and NMR study of GmSPI-2 inhibitor.
Plos One, 9, 2014
2M7P
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BU of 2m7p by Molmil
RXFP1 utilises hydrophobic moieties on a signalling surface of the LDLa module to mediate receptor activation
Descriptor: CALCIUM ION, Low-density lipoprotein receptor, Relaxin receptor 1
Authors:Kong, R.CK, Petrie, E.J, Mohanty, B, Ling, J, Lee, J.C.Y, Gooley, P.R, Bathgate, R.A.D.
Deposit date:2013-04-29
Release date:2013-08-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The relaxin receptor (RXFP1) utilizes hydrophobic moieties on a signaling surface of its N-terminal low density lipoprotein class A module to mediate receptor activation.
J.Biol.Chem., 288, 2013
3K1O
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BU of 3k1o by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
Descriptor: 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-09-28
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
3K2L
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BU of 3k2l by Molmil
Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2)
Descriptor: CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, ...
Authors:Filippakopoulos, P, Myrianthopoulos, V, Soundararajan, M, Krojer, T, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-10-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structures of Down Syndrome Kinases, DYRKs, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Structure, 21, 2013
3K36
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BU of 3k36 by Molmil
Crystal Structure of B/Perth Neuraminidase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3JQ5
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BU of 3jq5 by Molmil
Phospholipase A2 Prevents the Aggregation of Amyloid Beta Peptides: Crystal Structure of the Complex of Phospholipase A2 with Octapeptide Fragment of Amyloid Beta Peptide, Asp-Ala-Glu-Phe-Arg-His-Asp-Ser at 2 A Resolution
Descriptor: Amyloid Beta Peptide, CALCIUM ION, Phospholipase A2 isoform 3
Authors:Mirza, Z, Vikram, G, Singh, N, Sinha, M, Bhushan, A, Sharma, S, Srinivasan, A, Kaur, P, Singh, T.P.
Deposit date:2009-09-06
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Phospholipase A2 Prevents the Aggregation of Amyloid Beta Peptides: Crystal Structure of the Complex of Phospholipase A2 with Octapeptide Fragment of Amyloid Beta Peptide, Asp-Ala-Glu-Phe-Arg-His-Asp-Ser at 2 A Resolution
To be Published
7E0Z
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BU of 7e0z by Molmil
Crystal structure of PKAc-PLN complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ...
Authors:Qin, J, Yuchi, Z.
Deposit date:2021-01-28
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7E12
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BU of 7e12 by Molmil
Crystal structure of PKAc-A11E complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, THR-ARG-SER-GLU-ILE-ARG-ARG-ALA-SER-THR-ILE-GLU, ...
Authors:Qin, J, Lin, L, Yuchi, Z.
Deposit date:2021-01-28
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7E11
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BU of 7e11 by Molmil
Crystal structure of PKAc-PLN R9C complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ...
Authors:Qin, J, Lin, L, Yuchi, Z.
Deposit date:2021-01-28
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022

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