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8OV7
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BU of 8ov7 by Molmil
Crystal structure of D1228V c-MET bound by compound 10
Descriptor: 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-[3-(1H-imidazol-5-yl)phenyl]ethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2023-04-25
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
8OFJ
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BU of 8ofj by Molmil
Mycoplasma pneumoniae CdaM
Descriptor: Diadenylate cyclase
Authors:Garbers, T.B, Neumann, P, Ficner, R.
Deposit date:2023-03-15
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Streptococcus pneumoniae CdaA
To Be Published
6AD7
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BU of 6ad7 by Molmil
Crystal structure of the E148D mutant CLC-ec1 in 20 mM bromide
Descriptor: BROMIDE ION, H(+)/Cl(-) exchange transporter ClcA, antibody Fab fragment heavy chain, ...
Authors:Lim, H.-H, Park, K.
Deposit date:2018-07-31
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mutation of external glutamate residue reveals a new intermediate transport state and anion binding site in a CLC Cl-/H+antiporter.
Proc.Natl.Acad.Sci.USA, 116, 2019
6AIQ
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BU of 6aiq by Molmil
High resolution structure of recombinant high-potential iron-sulfur protein
Descriptor: GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ...
Authors:Hanazono, Y, Takeda, K, Miki, K.
Deposit date:2018-08-24
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Characterization of perdeuterated high-potential iron-sulfur protein with high-resolution X-ray crystallography.
Proteins, 88, 2020
6ADC
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BU of 6adc by Molmil
Crystal structure of the E148A mutant CLC-ec1 in the presence of 50mM bromoacetate
Descriptor: H(+)/Cl(-) exchange transporter ClcA, antibody Fab fragment, heavy chain, ...
Authors:Lim, H.-H, Park, K.
Deposit date:2018-07-31
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.055 Å)
Cite:Mutation of external glutamate residue reveals a new intermediate transport state and anion binding site in a CLC Cl-/H+antiporter.
Proc.Natl.Acad.Sci.USA, 116, 2019
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
Deposit date:2022-02-24
Release date:2022-05-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
7TT8
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BU of 7tt8 by Molmil
Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-01-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
6AGG
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BU of 6agg by Molmil
Crystal structure of agmatine-AMPPCP-Mg complexed TiaS (tRNAIle2 agmatidine synthetase)
Descriptor: ACETATE ION, AGMATINE, AMMONIUM ION, ...
Authors:Dong, J.S, Gong, W.M.
Deposit date:2018-08-11
Release date:2018-09-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
6AFY
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BU of 6afy by Molmil
Proton pyrophosphatase-E225S mutant
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tsai, J.-Y, Li, K.-M, Sun, Y.-J.
Deposit date:2018-08-08
Release date:2019-04-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Roles of the Hydrophobic Gate and Exit Channel in Vigna radiata Pyrophosphatase Ion Translocation.
J. Mol. Biol., 431, 2019
8P6I
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BU of 8p6i by Molmil
Crystal structure of the 139H2 Fab fragment bound to Muc1 peptide epitope
Descriptor: 139H2 HC, 139H2 LC, Mucin-1
Authors:Beugelink, J.W, Peng, W, Siborova, M, Pronker, M.F, Snijder, J, Janssen, B.J.C.
Deposit date:2023-05-26
Release date:2024-04-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reverse-engineering the anti-MUC1 antibody 139H2 by mass spectrometry-based de novo sequencing.
Life Sci Alliance, 7, 2024
6AL2
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BU of 6al2 by Molmil
Crystal structure of E. coli YidC at 2.8 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Membrane protein insertase YidC
Authors:Tanaka, Y, Tsukazaki, T, Izumioka, A, Hamid, A.A, Fujii, A.
Deposit date:2018-09-05
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:2.8-angstrom crystal structure of Escherichia coli YidC revealing all core regions, including flexible C2 loop.
Biochem. Biophys. Res. Commun., 505, 2018
8DY6
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BU of 8dy6 by Molmil
Vaccine elicited Antibody MU89+S27Y bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-08-03
Release date:2023-04-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction.
Cell Host Microbe, 32, 2024
8DTO
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BU of 8dto by Molmil
Vaccine elicited Antibody MU89 bound to CH848.D949.10.17_N133D_N138T.DS.SOSIP.664 HIV-1 Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stalls, V, Acharya, P.
Deposit date:2022-07-26
Release date:2023-04-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Mutation-guided vaccine design: A process for developing boosting immunogens for HIV broadly neutralizing antibody induction.
Cell Host Microbe, 32, 2024
6AE1
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BU of 6ae1 by Molmil
Crystal structure of Csm2 of the type III-A CRISPR-Cas effector complex
Descriptor: CRISPR-associated protein, TM1810 family
Authors:Numata, T.
Deposit date:2018-08-03
Release date:2019-01-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Crystal Structures of Csm2 and Csm3 in the Type III-A CRISPR-Cas Effector Complex.
J. Mol. Biol., 431, 2019
6AFS
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BU of 6afs by Molmil
Proton pyrophosphatase - two phosphates-bound
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tsai, J.-Y, Li, K.-M, Sun, Y.-J.
Deposit date:2018-08-08
Release date:2019-04-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Roles of the Hydrophobic Gate and Exit Channel in Vigna radiata Pyrophosphatase Ion Translocation.
J. Mol. Biol., 431, 2019
6AFX
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BU of 6afx by Molmil
Proton pyrophosphatase - E225A
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Tsai, J.-Y, Tang, K.-Z, Sun, Y.-J.
Deposit date:2018-08-08
Release date:2019-04-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Roles of the Hydrophobic Gate and Exit Channel in Vigna radiata Pyrophosphatase Ion Translocation.
J. Mol. Biol., 431, 2019
8DY2
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BU of 8dy2 by Molmil
Crystal Structure of spFv GLK1
Descriptor: SULFATE ION, spFv GLK1 LH
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY4
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BU of 8dy4 by Molmil
Crystal Structure of spFv CAT2200 HL
Descriptor: spFv CAT2200 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY3
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BU of 8dy3 by Molmil
Crystal Structure of spFv GLK2 HL
Descriptor: SULFATE ION, spFv GLK2 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.509 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
7UFZ
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BU of 7ufz by Molmil
Crystal structure of TDP1 complexed with compound XZ768
Descriptor: (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-03-23
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
6AL4
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BU of 6al4 by Molmil
CRYSTAL STRUCTURE OF ANTI-CD19 ANTIBODY B43 FAB
Descriptor: B43 HEAVY CHAIN, B43 LIGHT CHAIN
Authors:Teplyakov, A, Obmolova, G, Gilliland, G.L.
Deposit date:2017-08-07
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of B-cell co-receptor CD19 in complex with antibody B43 reveals an unexpected fold.
Proteins, 86, 2018
6A8Y
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BU of 6a8y by Molmil
YR26_SDS
Descriptor: YR26_SDS
Authors:Sinha, S, Bhattacharjya, S.
Deposit date:2018-07-11
Release date:2019-07-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:YR26_SDS
To Be Published
6AAB
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BU of 6aab by Molmil
Thanatin in presence of DPC
Descriptor: Thanatin
Authors:Sinha, S, Bhattacharjya, S.
Deposit date:2018-07-18
Release date:2019-07-24
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Thanatin in presence of DPC
To Be Published
7UFY
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BU of 7ufy by Molmil
Crystal structure of TDP1 complexed with compound XZ766
Descriptor: 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-03-23
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
6AFQ
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BU of 6afq by Molmil
Thanatin M21F in presence of DPC
Descriptor: Thanatin
Authors:Bhattacharjya, S, Sinha, S.
Deposit date:2018-08-08
Release date:2019-08-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin M21F in presence of DPC
To Be Published

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