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6YAX
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BU of 6yax by Molmil
Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (5C05)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5C05 F(ab) heavy chain, ...
Authors:Fisher, H, Tews, I, Orr, C.
Deposit date:2020-03-14
Release date:2021-10-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (5C05)
To Be Published
7ZVX
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BU of 7zvx by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 2.4 A resolution
Descriptor: 1,2-ETHANEDIOL, 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
7ZVN
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BU of 7zvn by Molmil
Crystal structure of human Annexin A2 in complex with full phosphorothioate 5-10 2'-methoxyethyl DNA gapmer antisense oligonucleotide solved at 1.87 A resolution
Descriptor: 2'-methoxyethyl DNA gapmer antisense oligonucleotide, Annexin A2, CALCIUM ION, ...
Authors:Hyjek-Skladanowska, M, Anderson, B, Mykhaylyk, V, Orr, C, Wagner, A, Skowronek, K, Seth, P, Nowotny, M.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding.
Nucleic Acids Res., 51, 2023
4LMN
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BU of 4lmn by Molmil
Crystal Structure of MEK1 kinase bound to GDC0973
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ultsch, M.H.
Deposit date:2013-07-10
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
5OCC
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BU of 5occ by Molmil
Crystal structure of CD32b (Fc Gamma Receptor IIb) in complex with Human IgG1 Fab fragment (6G08)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6G08 Fab Light Chain, ...
Authors:Tews, I, Orr, C.
Deposit date:2017-06-30
Release date:2018-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evaluating Anti-CD32b F(ab) Conformation Using Molecular Dynamics and Small-Angle X-Ray Scattering.
Biophys. J., 115, 2018
7S6G
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BU of 7s6g by Molmil
Crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T.
Deposit date:2021-09-14
Release date:2021-10-27
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Marine picocyanobacterial PhnD1 shows specificity for various phosphorus sources but likely represents a constitutive inorganic phosphate transporter.
Isme J, 17, 2023
7ZSG
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BU of 7zsg by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 1 minute of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZSJ
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BU of 7zsj by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 10 minutes of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZSF
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BU of 7zsf by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZSH
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BU of 7zsh by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 2 minutes of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZSI
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BU of 7zsi by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 5 minutes of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
8ABT
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BU of 8abt by Molmil
Crystal structure of NaLdpA in complex with the product analog Resveratrol
Descriptor: RESVERATROL, SULFATE ION, SnoaL-like domain-containing protein
Authors:Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
Deposit date:2022-07-04
Release date:2023-02-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ABW
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BU of 8abw by Molmil
Crystal structure of SpLdpA in complex with threo-DGPD
Descriptor: (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SULFATE ION, ...
Authors:Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
Deposit date:2022-07-04
Release date:2023-02-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
6OWY
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BU of 6owy by Molmil
Spy H96L:Im7 K20pI-Phe complex; multiple anomalous datasets contained herein for element identification
Descriptor: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ...
Authors:Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S.
Deposit date:2019-05-12
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
6OWZ
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BU of 6owz by Molmil
Spy H96L:Im7 L19pI-Phe complex; multiple anomalous datasets contained herein for element identification
Descriptor: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ...
Authors:Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S.
Deposit date:2019-05-12
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
6OWX
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BU of 6owx by Molmil
Spy H96L:Im7 L18pI-Phe complex; multiple anomalous datasets contained herein for element identification
Descriptor: CHLORIDE ION, IMIDAZOLE, IODIDE ION, ...
Authors:Rocchio, S, Duman, R, El Omari, K, Mykhaylyk, V, Yan, Z, Wagner, A, Bardwell, J.C.A, Horowitz, S.
Deposit date:2019-05-12
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Identifying dynamic, partially occupied residues using anomalous scattering.
Acta Crystallogr D Struct Biol, 75, 2019
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
Descriptor: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2016-05-20
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
8PX9
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BU of 8px9 by Molmil
Structure of the antibacterial peptide ABC transporter McjD, solved at wavelength 2.75 A
Descriptor: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Bountra, K, Beis, K, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX5
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BU of 8px5 by Molmil
Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe., solved at wavelength 2.75 A
Descriptor: Rpb7-binding protein seb1
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Wittmann, S, Renner, M, Grimes, J.M, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX0
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BU of 8px0 by Molmil
Structure of ribonuclease A, solved at wavelength 2.75 A
Descriptor: L-URIDINE-5'-MONOPHOSPHATE, Ribonuclease pancreatic
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Beis, K, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXL
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BU of 8pxl by Molmil
Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ...
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXG
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BU of 8pxg by Molmil
Structure of Streptactin, solved at wavelength 2.75 A
Descriptor: CHLORIDE ION, GLYCEROL, Streptavidin
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Vecchia, L, Jones, E.Y, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PWN
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BU of 8pwn by Molmil
Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A
Descriptor: Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ...
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A.
Deposit date:2023-07-20
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX4
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BU of 8px4 by Molmil
Structure of the PAS domain code by the LIC_11128 gene from Leptospira interrogans serovar Copenhageni Fiocruz, solved at wavelength 3.09 A
Descriptor: Diguanylate cyclase
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Guzzo, C.R, Owens, R.J, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023

 

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