6Y3M
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![BU of 6y3m by Molmil](/molmil-images/mine/6y3m) | 14-3-3 Sigma in complex with phosphorylated ATPase peptide | Descriptor: | 14-3-3 protein sigma, ATPase peptide, CALCIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-18 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6Y8E
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![BU of 6y8e by Molmil](/molmil-images/mine/6y8e) | 14-3-3 Sigma in complex with phosphorylated MLF1 peptide | Descriptor: | 14-3-3 protein sigma, ARG-SER-PHE-SEP-GLU-PRO-PHE-GLY, CALCIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-03-04 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6YFZ
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6YG3
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![BU of 6yg3 by Molmil](/molmil-images/mine/6yg3) | Crystal structure of MKK7 (MAP2K7) covalently bound with CPT1-70-1 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | Authors: | Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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6YG7
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![BU of 6yg7 by Molmil](/molmil-images/mine/6yg7) | Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor SB1-G-23 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Authors: | Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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6Y3S
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![BU of 6y3s by Molmil](/molmil-images/mine/6y3s) | 14-3-3 Sigma in complex with phosphorylated (pS210) Gab2 peptide | Descriptor: | 14-3-3 protein sigma, Gab2, MAGNESIUM ION | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-18 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6Y40
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![BU of 6y40 by Molmil](/molmil-images/mine/6y40) | 14-3-3 Sigma in complex with phosphorylated PLN peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-19 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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4EHW
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![BU of 4ehw by Molmil](/molmil-images/mine/4ehw) | Crystal structure of LpxK from Aquifex aeolicus at 2.3 angstrom resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Tetraacyldisaccharide 4'-kinase | Authors: | Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H. | Deposit date: | 2012-04-04 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface. Proc.Natl.Acad.Sci.USA, 109, 2012
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6YG4
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6Y44
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![BU of 6y44 by Molmil](/molmil-images/mine/6y44) | 14-3-3 Sigma in complex with phosphorylated SOS1 peptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-19 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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4EAM
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![BU of 4eam by Molmil](/molmil-images/mine/4eam) | 1.70A resolution structure of apo beta-glycosidase (W33G) from sulfolobus solfataricus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, ... | Authors: | Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J. | Deposit date: | 2012-03-22 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Designing allosteric control into enzymes by chemical rescue of structure. J.Am.Chem.Soc., 134, 2012
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6YG5
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6YG0
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6YG6
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![BU of 6yg6 by Molmil](/molmil-images/mine/6yg6) | Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor TL10-105 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Authors: | Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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4DX2
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![BU of 4dx2 by Molmil](/molmil-images/mine/4dx2) | Crystal structure of the human TRPV4 ankyrin repeat domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Transient receptor potential cation channel subfamily V member 4, ... | Authors: | Inada, H, Gaudet, R. | Deposit date: | 2012-02-27 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural and biochemical consequences of disease-causing mutations in the ankyrin repeat domain of the human TRPV4 channel. Biochemistry, 51, 2012
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4D9J
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4DEF
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![BU of 4def by Molmil](/molmil-images/mine/4def) | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | Descriptor: | ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ... | Authors: | Capodagli, G.C, Pegan, S.D. | Deposit date: | 2012-01-20 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis. Biochemistry, 52, 2013
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4DJT
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4DK3
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![BU of 4dk3 by Molmil](/molmil-images/mine/4dk3) | Structure of Editosome protein | Descriptor: | RNA-editing complex protein MP81, single domain antibody VHH | Authors: | Park, Y.-J, Hol, W. | Deposit date: | 2012-02-03 | Release date: | 2012-07-04 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2. Nucleic Acids Res., 40, 2012
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4DKA
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![BU of 4dka by Molmil](/molmil-images/mine/4dka) | Structure of Editosome protein | Descriptor: | RNA-editing complex protein MP81, SODIUM ION, single domain antibody VHH | Authors: | Park, Y.-J, Hol, W. | Deposit date: | 2012-02-03 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The structure of the C-terminal domain of the largest editosome interaction protein and its role in promoting RNA binding by RNA-editing ligase L2. Nucleic Acids Res., 40, 2012
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4DPF
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![BU of 4dpf by Molmil](/molmil-images/mine/4dpf) | BACE-1 in complex with a HEA-macrocyclic type inhibitor | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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4DOJ
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![BU of 4doj by Molmil](/molmil-images/mine/4doj) | Crystal structure of BetP in outward-facing conformation | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, CHLORIDE ION, CHOLINE ION, ... | Authors: | Perez, C, Ziegler, C. | Deposit date: | 2012-02-09 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Alternating-access mechanism in conformationally asymmetric trimers of the betaine transporter BetP. Nature, 490, 2012
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6YZ4
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![BU of 6yz4 by Molmil](/molmil-images/mine/6yz4) | Crystal structure of MKK7 (MAP2K7) with ibrutinib bound at allosteric site | Descriptor: | 1,2-ETHANEDIOL, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-06 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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4DDF
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![BU of 4ddf by Molmil](/molmil-images/mine/4ddf) | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group P4 | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2012-01-18 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
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4DPI
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![BU of 4dpi by Molmil](/molmil-images/mine/4dpi) | BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 | Descriptor: | (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1 | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | Deposit date: | 2012-02-13 | Release date: | 2012-07-11 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. Bioorg.Med.Chem., 20, 2012
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