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6Z3Y
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BU of 6z3y by Molmil
CryoEM structure of horse sodium/proton exchanger NHE9 in an inward-facing conformation
Descriptor: Sodium/hydrogen exchanger
Authors:Winkelmannm, I, Matsuoka, R, Meier, P, Drew, D.
Deposit date:2020-05-22
Release date:2020-11-04
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structure and elevator mechanism of the mammalian sodium/proton exchanger NHE9.
Embo J., 39, 2020
8WBV
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BU of 8wbv by Molmil
The crystal structure of linear mannose with mutant H247F of the cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus
Descriptor: 1,2-ETHANEDIOL, Cellobiose 2-epimerase, D-mannose, ...
Authors:Yang, R.J, Feng, Y.H.
Deposit date:2023-09-10
Release date:2023-10-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A precise swaying map for how promiscuous cellobiose-2-epimerase operate bi-reaction.
Int.J.Biol.Macromol., 253, 2023
8WBU
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BU of 8wbu by Molmil
The crystal structure of circular mannose with mutant H247F of the cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus
Descriptor: Cellobiose 2-epimerase, beta-D-mannopyranose
Authors:Yang, R.J, Feng, Y.H.
Deposit date:2023-09-10
Release date:2023-10-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A precise swaying map for how promiscuous cellobiose-2-epimerase operate bi-reaction.
Int.J.Biol.Macromol., 253, 2023
7CLZ
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BU of 7clz by Molmil
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
Descriptor: BORIC ACID, D-MALATE, Fluostatin C, ...
Authors:Zhang, L, De, B.C.
Deposit date:2020-07-22
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.10001016 Å)
Cite:Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
5CM4
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BU of 5cm4 by Molmil
Crystal structure of human Frizzled 4 Cysteine-Rich Domain (CRD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4
Authors:Ke, J, Parker, N, Gu, X, Zhang, C, Melcher, K, Xu, H.E.
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
3BQD
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BU of 3bqd by Molmil
Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol
Descriptor: 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1
Authors:Xu, H.E.
Deposit date:2007-12-20
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol.
Mol.Cell.Biol., 28, 2008
3BUS
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BU of 3bus by Molmil
Crystal Structure of RebM
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:McCoy, J.G, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2008-01-03
Release date:2008-03-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure and mechanism of the rebeccamycin sugar 4'-O-methyltransferase RebM.
J.Biol.Chem., 283, 2008
8HQN
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BU of 8hqn by Molmil
Activation mechanism of GPR132 by 9(S)-HODE
Descriptor: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, 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, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQM
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BU of 8hqm by Molmil
Activation mechanism of GPR132 by NPGLY
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, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HVI
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BU of 8hvi by Molmil
Activation mechanism of GPR132 by compound NOX-6-7
Descriptor: 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid, 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, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-26
Release date:2023-10-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQE
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BU of 8hqe by Molmil
Cryo-EM structure of the apo-GPR132-Gi
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, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8WKN
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BU of 8wkn by Molmil
Cryo-EM structure of DSR2-DSAD1
Descriptor: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
Authors:Zhang, H, Li, Z, Li, X.Z.
Deposit date:2023-09-28
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
6OT0
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BU of 6ot0 by Molmil
Structure of human Smoothened-Gi complex
Descriptor: 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Fab heavy chain, Fab light chain, ...
Authors:Qi, X, Li, X.
Deposit date:2019-05-02
Release date:2019-06-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Cryo-EM structure of oxysterol-bound human Smoothened coupled to a heterotrimeric Gi.
Nature, 571, 2019
8XKN
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BU of 8xkn by Molmil
Cryo-EM structure of tail tube protein
Descriptor: a protein
Authors:Zhang, H, Li, Z, Li, X.Z.
Deposit date:2023-12-23
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
6PBK
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BU of 6pbk by Molmil
Archaellum periplasmic stator protein complex FlaF and FlaG from Sulfolobus acidocaldarius
Descriptor: 1,2-ETHANEDIOL, Conserved flagellar protein F, DI(HYDROXYETHYL)ETHER, ...
Authors:Tsai, C.-L, Tainer, J.A.
Deposit date:2019-06-14
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:The structure of the periplasmic FlaG-FlaF complex and its essential role for archaellar swimming motility.
Nat Microbiol, 5, 2020
6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
Deposit date:2019-10-18
Release date:2020-01-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
7M8W
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BU of 7m8w by Molmil
XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2
Descriptor: 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ...
Authors:Shiriaeva, A, Han, G.W, Cherezov, V.
Deposit date:2021-03-30
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2.
Proc.Natl.Acad.Sci.USA, 118, 2021
8K98
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BU of 8k98 by Molmil
Cryo-EM structure of DSR2-TTP
Descriptor: a protein
Authors:Zhang, H, Li, Z, Li, X.Z.
Deposit date:2023-07-31
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
8K9A
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BU of 8k9a by Molmil
Cryo-EM structure of DSR2-DSAD1 state 2
Descriptor: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
Authors:Zhang, H, Li, Z, Li, X.Z.
Deposit date:2023-07-31
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
5UGC
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BU of 5ugc by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-08
Release date:2017-03-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
7SHU
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BU of 7shu by Molmil
IgE-Fc in complex with omalizumab variant C02
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-11
Release date:2021-12-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHT
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BU of 7sht by Molmil
Structure of a partially disrupted IgE high affinity receptor complex bound to an omalizumab variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, High affinity immunoglobulin epsilon receptor subunit alpha, ...
Authors:Pennington, L.F, Jardetzky, T.S.
Deposit date:2021-10-11
Release date:2021-12-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (7.29 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
5UG9
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BU of 5ug9 by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Descriptor: 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGA
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BU of 5uga by Molmil
Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
Descriptor: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
5UGB
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BU of 5ugb by Molmil
Crystal structure of the EGFR kinase domain in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium
Descriptor: 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Ferre, R.A.
Deposit date:2017-01-07
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017

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