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4N3T
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Candida albicans Superoxide Dismutase 5 (SOD5), Cu(I)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (I) ION, Potential secreted Cu/Zn superoxide dismutase, ...
Authors:Galaleldeen, A, Taylor, A.B, Waninger-Saroni, J.J, Holloway, S.P, Hart, P.J.
Deposit date:2013-10-07
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Candida albicans SOD5 represents the prototype of an unprecedented class of Cu-only superoxide dismutases required for pathogen defense.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N1E
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BU of 4n1e by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Stock, D, Christ, D.
Deposit date:2013-10-04
Release date:2014-10-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4N32
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BU of 4n32 by Molmil
Structure of langerin CRD with alpha-Me-GlcNAc.
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Authors:Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E.
Deposit date:2013-10-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Common polymorphisms in human langerin change specificity for glycan ligands.
J.Biol.Chem., 288, 2013
4N5U
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BU of 4n5u by Molmil
Crystal structure of the 4th FN3 domain of human Protein Tyrosine phosphatase, receptor type F [PSI-NYSGRC-006240]
Descriptor: Receptor-type tyrosine-protein phosphatase F, SULFATE ION
Authors:Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-10-10
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.456 Å)
Cite:Crystal structure of the 4th FN3 domain of human PTP, receptor F [PSI-NYSGRC-006240]
to be published
4N6Y
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Pim1 Complexed with a phenylcarboxamide
Descriptor: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
Deposit date:2013-10-14
Release date:2013-11-06
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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
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
4N7N
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Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of full-liganded human haemoglobin with phosphate at 2.75 A resolution.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugiyama, K, Shibayama, N, Park, S.Y.
Deposit date:2013-10-16
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.754 Å)
Cite:Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
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
4NGK
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BU of 4ngk by Molmil
Previously de-ionized HEW lysozyme batch crystallized in 0.2 M CoCl2
Descriptor: CHLORIDE ION, COBALT (II) ION, Lysozyme C
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-02
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
4NHQ
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BU of 4nhq by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
Deposit date:2013-11-05
Release date:2014-09-17
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
4NKW
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BU of 4nkw by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone
Descriptor: (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Scott, E.E, Petrunak, E.P.
Deposit date:2013-11-13
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NPT
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Crystal Structure of HIV-1 Protease Multiple Mutant P51 Complexed with Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease
Authors:Zhang, Y, Weber, I.T.
Deposit date:2013-11-22
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structures of darunavir-resistant HIV-1 protease mutant reveal atypical binding of darunavir to wide open flaps.
Acs Chem.Biol., 9, 2014
7EKA
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BU of 7eka by Molmil
crystal structure of epigallocatechin binding with alpha-lactalbumin
Descriptor: 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, Alpha-lactalbumin
Authors:Ma, J, Yao, Q, Chen, X, Zang, J.
Deposit date:2021-04-05
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Weak Binding of Epigallocatechin to alpha-Lactalbumin Greatly Improves Its Stability and Uptake by Caco-2 Cells.
J.Agric.Food Chem., 69, 2021
7EB1
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BU of 7eb1 by Molmil
Solution NMR structure of the RRM domain of RNA binding protein RBM3 from homo sapiens
Descriptor: RNA-binding protein 3
Authors:Boral, S, Roy, S, Basak, A.J, Maiti, S, Lee, W, De, S.
Deposit date:2021-03-08
Release date:2021-12-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and dynamic studies of the human RNA binding protein RBM3 reveals the molecular basis of its oligomerization and RNA recognition.
Febs J., 289, 2022
4NQQ
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BU of 4nqq by Molmil
Crystal structure of mouse P-cadherin extracellular domains EC1-EC2
Descriptor: CALCIUM ION, COPPER (II) ION, Cadherin-3
Authors:Brasch, J, Shapiro, L.
Deposit date:2013-11-25
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NT4
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BU of 4nt4 by Molmil
Crystal structure of the kinase domain of Gilgamesh isoform I from Drosophila melanogaster
Descriptor: GLYCEROL, Gilgamesh, isoform I, ...
Authors:Chen, C.C, Shi, Z.B, Zhou, Z.C.
Deposit date:2013-11-30
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure of the kinase domain of Gilgamesh from Drosophila melanogaster
Acta Crystallogr.,Sect.F, 70, 2014
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
Descriptor: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
Authors:Appleton, B.A.
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NFM
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BU of 4nfm by Molmil
Human tau tubulin kinase 1 (TTBK1)
Descriptor: GLYCEROL, Tau-tubulin kinase 1
Authors:Sheriff, S.
Deposit date:2013-10-31
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The structure of human tau-tubulin kinase 1 both in the apo form and in complex with an inhibitor.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4NGJ
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BU of 4ngj by Molmil
Dialyzed HEW lysozyme batch crystallized in 1.0 M RbCl and collected at 100 K
Descriptor: CHLORIDE ION, Lysozyme C, RUBIDIUM ION
Authors:Benas, P, Legrand, L, Ries-Kautt, M.
Deposit date:2013-11-02
Release date:2014-05-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
4NCY
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BU of 4ncy by Molmil
In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
Authors:Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
Deposit date:2013-10-25
Release date:2014-04-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
4NE7
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Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis, Northeast Structural Genomics Consortium (NESG) Target OR367
Descriptor: Kumamolisin-As, ZINC ION
Authors:Guan, R, Pultz, I.S, Siegel, J.B, Seetharaman, J, Kornhaber, G, Maglaqui, M, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-10-28
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Northeast Structural Genomics Consortium Target OR367
To be Published
4NM7
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Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NM3
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Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4NMM
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Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
Descriptor: 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION
Authors:Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D.
Deposit date:2013-11-15
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014

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