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7M0L
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BU of 7m0l by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
Descriptor: 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2021-03-11
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.76000106 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
7L9C
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BU of 7l9c by Molmil
Receiver Domain of RssB
Descriptor: Regulator of RpoS
Authors:Deaconescu, A.M, Son, J, Schwartz, J.
Deposit date:2021-01-03
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB.
Protein Sci., 30, 2021
7LCM
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BU of 7lcm by Molmil
Receiver Domain of RssB bound to beryllofluoride
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Regulator of RpoS
Authors:Deaconescu, A.M, Schwartz, J, Son, J.
Deposit date:2021-01-11
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB.
Protein Sci., 30, 2021
7M0M
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BU of 7m0m by Molmil
HPK1 IN COMPLEX WITH COMPOUND 1
Descriptor: 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2021-03-11
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds.
Acs Med.Chem.Lett., 12, 2021
7LHN
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BU of 7lhn by Molmil
Crystal structure of Q108K:K40L:T51V:T53C:R58W:T29L:Y19W:Q4A mutant of cellular retinol binding protein II complex with all-trans-retinal after exposure to visible light
Descriptor: GLYCEROL, RETINAL, Retinol-binding protein 2
Authors:Ehyaei, N, Geiger, J.H, Borhan, B.
Deposit date:2021-01-25
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of Q108K:K40L:T51V:T53C:R58W:T29L:Y19W:Q4A mutant of cellular retinol binding protein II complex with all-trans-retinal after exposure to visible light
To Be Published
7LHM
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Crystal structure of Q108K:K40L:T51V:T53C:R58W:T29L:Y19W:Q4A:Q38L mutant of cellular retinol binding protein II complex with all-trans-retinal
Descriptor: ACETATE ION, GLYCEROL, RETINAL, ...
Authors:Ehyaei, N, Geiger, J.H, Borhan, B.
Deposit date:2021-01-25
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Q108K:K40L:T51V:T53C:R58W:T29L:Y19W:Q4A:Q38L mutant of cellular retinol binding protein II complex with all-trans-retinal
To Be Published
4NUM
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BU of 4num by Molmil
Crystal structure of mouse N-cadherin EC1-2 A78SI92M
Descriptor: CALCIUM ION, Cadherin-2
Authors:Jin, X.
Deposit date:2013-12-03
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Proc.Natl.Acad.Sci.USA, 111, 2014
7LHO
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BU of 7lho by Molmil
Crystal structure of Q108K:K40L:T51V:T53C:R58W:T29L:Y19W:Q4A mutant of cellular retinol binding protein II complex with all-trans-retinal in the dark
Descriptor: GLYCEROL, RETINAL, Retinol-binding protein 2
Authors:Ehyaei, N, Geiger, J.H, Borhan, B.
Deposit date:2021-01-26
Release date:2021-04-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of Q108K:K40L:T51V:T53C:R58W:T29L:Y19W:Q4A mutant of cellular retinol binding protein II complex with all-trans-retinal in the dark
To Be Published
4NW5
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Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
Descriptor: 7-(2-fluoro-6-methoxyphenyl)-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 (1.94 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6FLV
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BU of 6flv by Molmil
Crystal structure of ERK2 in complex with an adenosine derivative
Descriptor: DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Gelin, M, Labesse, G.
Deposit date:2018-01-29
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:None
To be published
7E02
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BU of 7e02 by Molmil
Room temperature structure of lysozyme delivered in beef tallow by serial millisecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Nam, K.H.
Deposit date:2021-01-26
Release date:2021-02-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Room temperature structure of lysozyme delivered in beef tallow by serial millisecond crystallography
To Be Published
7LWC
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BU of 7lwc by Molmil
Goat beta-lactoglobulin mutant Q59A
Descriptor: Beta-lactoglobulin
Authors:Munoz, D.A, Dobson, R.C.J.
Deposit date:2021-02-28
Release date:2021-04-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Engineering food proteins for improved digestibility and lower allergenicity: a case study using caprine beta-lactoglobulin
To Be Published
6EOE
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BU of 6eoe by Molmil
Crystal structure of AMPylated GRP78 with nucleotide
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ...
Authors:Yan, Y, Preissler, S, Ron, D, Read, R.J.
Deposit date:2017-10-09
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
6E4N
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BU of 6e4n by Molmil
Structure of the T. brucei TbRGG2 RRM domain: apo R3 crystal form
Descriptor: RNA-binding protein, putative
Authors:Schumacher, M.A.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The RRM of the kRNA-editing protein TbRGG2 uses multiple surfaces to bind and remodel RNA.
Nucleic Acids Res., 47, 2019
7DTF
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BU of 7dtf by Molmil
Room temperature structure of lysozyme by serial millisecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Nam, K.H.
Deposit date:2021-01-04
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Room temperature structure of lysozyme by serial millisecond crystallography
To Be Published
6E4O
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BU of 6e4o by Molmil
Structure of apo T. brucei RRM: P4(1)2(1)2 form
Descriptor: RNA-binding protein, putative
Authors:Schumacher, M.A.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The RRM of the kRNA-editing protein TbRGG2 uses multiple surfaces to bind and remodel RNA.
Nucleic Acids Res., 47, 2019
6E4P
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BU of 6e4p by Molmil
Structure of the T. brucei RRM domain in complex with RNA
Descriptor: RNA (5'-R(P*UP*UP*UP*U)-3'), RNA-binding protein, putative
Authors:Schumacher, M.A.
Deposit date:2018-07-18
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:The RRM of the kRNA-editing protein TbRGG2 uses multiple surfaces to bind and remodel RNA.
Nucleic Acids Res., 47, 2019
7E6Q
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BU of 7e6q by Molmil
Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors.
Rsc Adv, 11, 2021
4O1W
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BU of 4o1w by Molmil
Crystal Structure of Colwellia psychrerythraea cytochrome c
Descriptor: Cytochrome c552, DI(HYDROXYETHYL)ETHER, HEME C, ...
Authors:Harvilla, P.B, Wolcott, H.N, Magyar, J.S, Shapiro, L.S.
Deposit date:2013-12-16
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of ferricytochrome c552 from the psychrophilic marine bacterium Colwellia psychrerythraea 34H.
Metallomics, 6, 2014
4O25
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BU of 4o25 by Molmil
Structure of Wild Type Mus musculus Rheb bound to GTP
Descriptor: GTP-binding protein Rheb, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Mazhab-Jafari, M.T, Marshall, C.B, Ho, J, Ishiyama, N, Stambolic, V, Ikura, M.
Deposit date:2013-12-16
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided mutation of the conserved G3-box glycine in Rheb generates a constitutively activated regulator of mammalian target of rapamycin (mTOR).
J.Biol.Chem., 289, 2014
7N5T
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BU of 7n5t by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 5)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
7N5S
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BU of 7n5s by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 6)
Descriptor: DNA Strand I, DNA Strand II, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2021-06-06
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
6E51
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BU of 6e51 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51W mutant of human cellular retinol binding protein II
Descriptor: Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E50
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BU of 6e50 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51F mutant of human Cellular Retinol Binding Protein II
Descriptor: ACETATE ION, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-07-18
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019

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