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3NFP
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BU of 3nfp by Molmil
Crystal structure of the Fab fragment of therapeutic antibody daclizumab in complex with IL-2Ra (CD25) ectodomain
Descriptor: Heavy chain of Fab fragment of daclizumab, Interleukin-2 receptor subunit alpha, Light chain of Fab fragment of daclizumab
Authors:Yang, H, Wang, J, Du, J, Zhong, C, Guo, Y, Ding, J.
Deposit date:2010-06-10
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis of immunosuppression by the therapeutic antibody daclizumab
Cell Res., 20, 2010
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-20
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
6EBR
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BU of 6ebr by Molmil
Activation of RR02 bound to BeF3
Descriptor: BERYLLIUM TRIFLUORIDE ION, DNA-binding response regulator, MANGANESE (II) ION
Authors:Riboldi-Tunnicliffe, A, Panjikar, S.
Deposit date:2018-08-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Activation of RR02 bound to BeF3
To Be Published
3N9E
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BU of 3n9e by Molmil
Mite-y Lysozyme: Promite
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Newman, J, Peat, T.S.
Deposit date:2010-05-28
Release date:2011-06-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mite-y Lysozyme Crystals and Structures
To be Published
4E3U
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BU of 4e3u by Molmil
Crystal Structure of Hen Egg White Lysozyme Cryoprotected in Proline
Descriptor: CHLORIDE ION, Lysozyme C, PROLINE
Authors:Tanner, J.J, Pemberton, T.A.
Deposit date:2012-03-10
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3NJU
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BU of 3nju by Molmil
Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid at 1.4A resolution
Descriptor: 4-METHOXYBENZOIC ACID, CALCIUM ION, Phospholipase A2 isoform 3
Authors:Kaushik, S, Prem Kumar, R, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-06-18
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid at 1.4A resolution
To be Published
7DLN
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BU of 7dln by Molmil
Structure of lysozyme obtained on SSRF using serial synchrotron crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Zhao, F.Z.
Deposit date:2020-11-28
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of lysozyme obtained on SSRF using serial synchrotron crystallography
To Be Published
3NCL
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BU of 3ncl by Molmil
Crystal Structure of MT-SP1 bound to Benzamidine Phosphonate Inhibitor
Descriptor: FORMIC ACID, Suppressor of tumorigenicity 14 protein, phenyl (4-carbamimidoylbenzyl)phosphonate
Authors:Ray, M, Brown, C, Egea, P.
Deposit date:2010-06-04
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Peptide length and leaving-group sterics influence potency of Peptide phosphonate protease inhibitors.
Chem.Biol., 18, 2011
4E2P
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BU of 4e2p by Molmil
Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis
Descriptor: Cytochrome P450 107B1 (P450CVIIB1), MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zhang, H.D, Chen, J, Wang, H, Huang, L, Zhang, H.J.
Deposit date:2012-03-09
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis
To be Published
3NKK
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BU of 3nkk by Molmil
Trypsin in complex with fluorine containing fragment
Descriptor: 3-fluoro-4-methylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Schiering, N, Vulpetti, A, Dalvit, C.
Deposit date:2010-06-20
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
Proteins, 78, 2010
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
Authors:Wei, T, Xiao, J.
Deposit date:2020-11-26
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
3NGG
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BU of 3ngg by Molmil
X-ray Structure of Omwaprin
Descriptor: Omwaprin-a
Authors:Banigan, J.R, Mandal, K, Sawaya, M.R, Thammavongsa, V, Hendrickx, A.P.A, Schneewind, O, Yeates, T.O, Kent, S.B.H.
Deposit date:2010-06-11
Release date:2010-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Determination of the X-ray structure of the snake venom protein omwaprin by total chemical synthesis and racemic protein crystallography.
Protein Sci., 19, 2010
6EBB
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BU of 6ebb by Molmil
Crystal Structure of YycF homologue, crystals grown in Tris buffer
Descriptor: DNA-binding response regulator
Authors:Riboldi-Tunnicliffe, A, Panjikar, S, Williamson, R.M, Gabrielsen, M.
Deposit date:2018-08-06
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:Crystal Structure of YycF homologue, crystals grown in Tris buffer
To Be Published
3MTH
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BU of 3mth by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
Descriptor: 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, METHYLPARABEN INSULIN, ...
Authors:Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G.
Deposit date:1995-09-13
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
3NNN
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BU of 3nnn by Molmil
BeF3 Activated DrrD Receiver Domain
Descriptor: BERYLLIUM TRIFLUORIDE ION, DNA BINDING RESPONSE REGULATOR D, MAGNESIUM ION
Authors:Robinson, V.L, Stock, A.M.
Deposit date:2010-06-23
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Regulation of response regulator autophosphorylation through interdomain contacts.
J.Biol.Chem., 285, 2010
4E7V
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BU of 4e7v by Molmil
The structure of R6 bovine insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Harris, P, Frankaer, C.G, Knudsen, M.V.
Deposit date:2012-03-19
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Acta Crystallogr.,Sect.D, 68, 2012
6EHZ
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BU of 6ehz by Molmil
NMR solution structure of murine CXCL12 gamma isoform
Descriptor: Stromal cell-derived factor 1
Authors:Laguri, C, Lortat-Jacob, H, SImorre, J.P.
Deposit date:2017-09-15
Release date:2018-10-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering the structural attributes of protein-heparan sulfate interactions using chemo-enzymatic approaches and NMR spectroscopy
Glycobiology, 2021
6EW4
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BU of 6ew4 by Molmil
Human myelin protein P2 F57A mutant, monoclinic crystal form
Descriptor: Myelin P2 protein, PALMITIC ACID
Authors:Laulumaa, S, Lehtimaki, M, Kursula, P.
Deposit date:2017-11-03
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the beta barrel in fatty acid binding proteins.
BMC Struct. Biol., 18, 2018
4E7P
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BU of 4e7p by Molmil
Crystal structure of receiver domain of putative NarL family response regulator spr1814 from Streptococcus pneumoniae in the presence of the phosphoryl analog beryllofluoride
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator
Authors:Park, A.K, Moon, J.H, Lee, K.S, Chi, Y.M.
Deposit date:2012-03-18
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Crystal structure of receiver domain of putative NarL family response regulator spr1814 from Streptococcus pneumoniae in the absence and presence of the phosphoryl analog beryllofluoride.
Biochem.Biophys.Res.Commun., 421, 2012
4E7Z
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BU of 4e7z by Molmil
Myosin VI (MD) pre-powerstroke state, P21 crystal form
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Isabet, T, Sweeney, H.L, Houdusse, A.
Deposit date:2012-03-19
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin VI.
Mol.Cell, 48, 2012
3NSH
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BU of 3nsh by Molmil
BACE-1 in complex with ELN475957
Descriptor: Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-3-({1-[4-(2,2-dimethylpropyl)thiophen-2-yl]cyclopropyl}amino)-2-hydroxypropyl]acetamide
Authors:Probst, G.D, Bowers, S, Sealy, J.M, Brecht, E, Yao, N.
Deposit date:2010-07-01
Release date:2010-09-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.
Bioorg.Med.Chem.Lett., 20, 2010
7DT9
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BU of 7dt9 by Molmil
D30N HIV Protease in complex with Saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease
Authors:Bihani, S.C, Hosur, M.V.
Deposit date:2021-01-04
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:D30N HIV Protease in complex with Saquinavir
To Be Published
3NU3
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BU of 3nu3 by Molmil
Wild Type HIV-1 Protease with Antiviral Drug Amprenavir
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
Deposit date:2010-07-06
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NV6
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BU of 3nv6 by Molmil
Crystal Structure of Camphor-Bound CYP101D2
Descriptor: CAMPHOR, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-07-08
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of CYP101D2 unveils a potential path for substrate entry into the active site
Biochem.J., 433, 2011
3NWQ
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BU of 3nwq by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-10
Release date:2011-11-02
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011

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