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5TD8
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Crystal structure of an Extended Dwarf Ndc80 Complex
Descriptor: Kinetochore protein NDC80, Kinetochore protein NUF2, Kinetochore protein SPC24, ...
Authors:Valverde, R, Ingram, J, Harrison, S.C.
Deposit date:2016-09-17
Release date:2016-11-16
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (7.531 Å)
Cite:Conserved Tetramer Junction in the Kinetochore Ndc80 Complex.
Cell Rep, 17, 2016
5TEF
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BU of 5tef by Molmil
Crystal structure of Gemin5 WD40 repeats in complex with m7GpppG
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, GLYCEROL, Gem-associated protein 5, ...
Authors:Chao, X, Tempel, W, Bian, C, He, H, Cerovina, T, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-21
Release date:2016-10-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
5TFR
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BU of 5tfr by Molmil
Crystal structure of Zika Virus NS5 protein
Descriptor: Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Longenecker, K.L, Upadhyay, A.K.
Deposit date:2016-09-26
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5TIL
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BU of 5til by Molmil
Murine class I major histocompatibility complex H-2 Db in complex with LCMV-derived GP33 altered peptide V3P and T-cell receptor P14
Descriptor: Alpha chain of murine P14 T cell receptor, Beta chain of murine T cell receptor P14, Beta-2-microglobulin, ...
Authors:Achour, A, Sandalova, T, Allerbring, E.B.
Deposit date:2016-10-03
Release date:2017-11-01
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Ternary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To be published
5TJ2
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BU of 5tj2 by Molmil
Gasdermin-B C-terminal domain containing the polymorphism residues Gly299:Ser306 fused to maltose binding protein
Descriptor: Sugar ABC transporter substrate-binding protein,Gasdermin-B fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Chao, L.K, Herzberg, O.
Deposit date:2016-10-03
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human Gasdermin-B and disease: Sulfatide Binding, Caspase cleavage, and Structural impact of Asthma- and IBS-Associated Polymorphism
Proc.Natl.Acad.Sci.Usa, 2017
5TJR
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BU of 5tjr by Molmil
X-ray Crystal structure of a methylmalonate semialdehyde dehydrogenase from Pseudomonas sp. AAC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Methylmalonate-semialdehyde dehydrogenase
Authors:Peat, T.S, Newman, J.
Deposit date:2016-10-05
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
5SUU
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BU of 5suu by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17-36. X-ray diffractometer data set. (ORN)CVFFCED(ORN)AII(SAR)L(ORN)V.
Descriptor: 16mer A-beta peptide: ORN-CYS-VAL-PHE-PHE-CYS-GLU-ASP-ORN-ALA-ILE-ILE-SAR-LEU-ORN-VAL, CHLORIDE ION, IODIDE ION
Authors:Kreutzer, A.G, Spencer, R.K, Nowick, J.S.
Deposit date:2016-08-03
Release date:2017-01-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:Stabilization, Assembly, and Toxicity of Trimers Derived from A beta.
J.Am.Chem.Soc., 139, 2017
5SUR
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BU of 5sur by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36. Synchrotron data set. (ORN)CVF(MEA)CED(ORN)AIIGL(ORN)V.
Descriptor: 16mer A-beta peptide: ORN-CYS-VAL-PHE-MEA-CYS-GLU-ASP-ORN-ALA-ILE-ILE-GLY-LEU-ORN-VAL, CHLORIDE ION, HEXANE-1,6-DIOL, ...
Authors:Kreutzer, A.G, Yoo, S, Nowick, J.S.
Deposit date:2016-08-03
Release date:2017-01-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Stabilization, Assembly, and Toxicity of Trimers Derived from A beta.
J.Am.Chem.Soc., 139, 2017
5SUP
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BU of 5sup by Molmil
Crystal structure of the Sub2-Yra1 complex in association with RNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase SUB2, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Ren, Y, Schmiege, P, Blobel, G.
Deposit date:2016-08-03
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analyses of the DEAD-box ATPase Sub2 in association with THO or Yra1.
Elife, 6, 2017
5T6E
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BU of 5t6e by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand
Descriptor: 1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2016-09-01
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
J. Med. Chem., 60, 2017
5T6M
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BU of 5t6m by Molmil
Structure of the tryptophan synthase b-subunit from Pyroccus furiosus with b-methyltryptophan non-covalently bound
Descriptor: (betaS)-beta-methyl-L-tryptophan, PHOSPHATE ION, SODIUM ION, ...
Authors:Buller, A.R, van Roye, P, Arnold, F.H.
Deposit date:2016-09-01
Release date:2016-12-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tryptophan Synthase Uses an Atypical Mechanism To Achieve Substrate Specificity.
Biochemistry, 55, 2016
5TBX
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BU of 5tbx by Molmil
hnRNP A18 RNA Recognition Motif
Descriptor: ACETATE ION, Cold-inducible RNA-binding protein, NICKEL (II) ION
Authors:Coburn, K.M, Melville, Z, Aligholizadeh, E, Roth, B.M, Varney, K.M, Weber, D.J.
Deposit date:2016-09-13
Release date:2017-04-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:Crystal structure of the human heterogeneous ribonucleoprotein A18 RNA-recognition motif.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5TDN
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BU of 5tdn by Molmil
Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces
Descriptor: GLYCEROL, anti-HER2 Fab Heavy Chain, anti-HER2 Fab Light Chain
Authors:Yin, Y, Carter, P.J.
Deposit date:2016-09-19
Release date:2016-12-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the Fab fragment of anti-HER2 antibody 4D5 with redesigned heavy and light chain interfaces
To Be Published
5TFU
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BU of 5tfu by Molmil
Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex
Descriptor: (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hsu, M.H, Johnson, E.F.
Deposit date:2016-09-26
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
5THP
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BU of 5thp by Molmil
Rhodocetin in complex with the integrin alpha2-A domain
Descriptor: CHLORIDE ION, GLYCEROL, Integrin alpha-2, ...
Authors:McDougall, M, Orriss, G.L, Stetefeld, J.
Deposit date:2016-09-30
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.006 Å)
Cite:Dramatic and concerted conformational changes enable rhodocetin to block alpha 2 beta 1 integrin selectively.
PLoS Biol., 15, 2017
5T63
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BU of 5t63 by Molmil
The HhoA protease from Synechocystis sp. PCC 6803
Descriptor: ALA-ALA-ALA-ALA, MAGNESIUM ION, Putative serine protease HhoA
Authors:Persson, K, Hall, M, Funk, C.
Deposit date:2016-09-01
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
5T69
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BU of 5t69 by Molmil
The HhoA protease from Synechocystis sp. PCC 6803, active site mutant
Descriptor: ACETATE ION, MAGNESIUM ION, Putative serine protease HhoA
Authors:Persson, K, Hall, M, Funk, C.
Deposit date:2016-09-01
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The HhoA protease from Synechocystis sp. PCC 6803 - Novel insights into structure and activity regulation.
J. Struct. Biol., 198, 2017
5T6D
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BU of 5t6d by Molmil
2.10 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (hexagonal form)
Descriptor: 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide, Genome polyprotein
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C.
Deposit date:2016-09-01
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
5T6J
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BU of 5t6j by Molmil
Structure of the MIND Complex Shows a Regulatory Focus of Yeast Kinetochore Assembly
Descriptor: Kinetochore protein SPC24, Kinetochore protein SPC25, Kinetochore-associated protein DSN1
Authors:Valverde, R, Jenni, S, Dimitrova, Y, Khin, Y, Harrison, S.C.
Deposit date:2016-09-01
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structure of the MIND Complex Defines a Regulatory Focus for Yeast Kinetochore Assembly.
Cell, 167, 2016
5T5U
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BU of 5t5u by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a methylpyridyl-dipihenyl-pyridine ligand
Descriptor: 2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2016-08-31
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
J. Med. Chem., 60, 2017
5T8Q
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BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
Descriptor: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5T6F
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BU of 5t6f by Molmil
1.90 A resolution structure of Norovirus 3CL protease in complex with the dipeptidyl inhibitor 7l (orthorhombic P form)
Descriptor: 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide, Genome polyprotein
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Damalanka, V.C, Weerawarna, P.M, Doyle, S.T, Alsoudi, A.F, Dissanayake, D.M.P, Chang, K.-O, Groutas, W.C.
Deposit date:2016-09-01
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based exploration and exploitation of the S4 subsite of norovirus 3CL protease in the design of potent and permeable inhibitors.
Eur J Med Chem, 126, 2016
5T7S
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BU of 5t7s by Molmil
Crystal structure of galectin-8N in complex with Lactose
Descriptor: GLYCEROL, Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Bohari, M.H, Yu, X, Blanchard, H.
Deposit date:2016-09-05
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5TBD
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BU of 5tbd by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb4D11) in complex with 3D7-MSP2 215-222
Descriptor: Fv fragment (mAb4D1) heavy chain, Merozoite surface protein 2
Authors:Seow, J, Morales, R.A.V, MacRaild, C.A, Bankala, K, Drinkwater, N, Dingjan, T, Jaipuria, G, Wilde, K, Anders, R.F, Atreya, H.S, Christ, D, McGowan, S, Norton, R.S.
Deposit date:2016-09-12
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Characterisation of a Key Epitope in the Conserved C-Terminal Domain of the Malaria Vaccine Candidate MSP2.
J. Mol. Biol., 429, 2017
5TBP
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BU of 5tbp by Molmil
Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X.
Deposit date:2016-09-12
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017

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