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2J5F
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BU of 2j5f by Molmil
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab
Descriptor: EPIDERMAL GROWTH FACTOR RECEPTOR, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2006-09-14
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Guided Development of Affinity Probes for Tyrosine Kinases Using Chemical Genetics.
Nat.Chem.Biol., 3, 2007
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
2J5E
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BU of 2j5e by Molmil
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 13-jab
Descriptor: CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2006-09-14
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Guided Development of Affinity Probes for Tyrosine Kinases Using Chemical Genetics.
Nat.Chem.Biol., 3, 2007
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
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
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
7SI0
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BU of 7si0 by Molmil
IgE-Fc in complex with 813
Descriptor: 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-12
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7SHY
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BU of 7shy by Molmil
IgE-Fc in complex with omalizumab scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IgE Fc, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-11
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
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:2023-10-18
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
7SHZ
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BU of 7shz by Molmil
IgE-Fc in complex with HAE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Pennington, L.F, Jardetzky, T.J, Kleinboelting, S.
Deposit date:2021-10-11
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
7XQE
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BU of 7xqe by Molmil
Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
Descriptor: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ...
Authors:Wu, X, Li, C, Zhang, Y, Xu, Y.
Deposit date:2022-05-07
Release date:2023-05-31
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
2EXX
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BU of 2exx by Molmil
Crystal structure of HSCARG from Homo sapiens in complex with NADP
Descriptor: GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M.
Deposit date:2005-11-09
Release date:2006-11-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007
8EWG
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BU of 8ewg by Molmil
Cryo-EM structure of a riboendonclease
Descriptor: CRISPR-associated endonuclease Cas9, RNA (56-MER)
Authors:Li, Z, Wang, F.
Deposit date:2022-10-23
Release date:2023-08-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural Basis for the Ribonuclease Activity of a Thermostable CRISPR-Cas13a from Thermoclostridium caenicola.
J.Mol.Biol., 435, 2023
6P7G
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BU of 6p7g by Molmil
The co-crystal structure of BRAF(V600E) with PHI1
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf
Authors:Agianian, B, Gavathiotis, E.
Deposit date:2019-06-05
Release date:2020-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
6P3D
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BU of 6p3d by Molmil
The co-crystal structure of BRAF(V600E) with ponatinib
Descriptor: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ...
Authors:Agianian, B, Gavathiotis, E.
Deposit date:2019-05-23
Release date:2020-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
Authors:Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
5I3R
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BU of 5i3r by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
Descriptor: BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION
Authors:Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-02-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
1RKB
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BU of 1rkb by Molmil
The structure of adrenal gland protein AD-004
Descriptor: LITHIUM ION, Protein AD-004, SULFATE ION
Authors:Ren, H, Liang, Y, Bennett, M, Su, X.D.
Deposit date:2003-11-21
Release date:2005-01-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human adenylate kinase 6: An adenylate kinase localized to the cell nucleus
Proc.Natl.Acad.Sci.Usa, 102, 2005
8HZT
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BU of 8hzt by Molmil
Bacillus subtilis SepF protein assembly (G137N mutant)
Descriptor: Cell division protein SepF
Authors:Liu, W.
Deposit date:2023-01-09
Release date:2024-02-14
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Molecular basis for curvature formation in SepF polymerization.
Proc.Natl.Acad.Sci.USA, 121, 2024
7F1R
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BU of 7f1r by Molmil
Cryo-EM structure of the chemokine receptor CCR5 in complex with RANTES and Gi
Descriptor: C-C motif chemokine 5,C-C chemokine receptor type 5, 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:Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2021-06-09
Release date:2021-07-14
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021
7F1T
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BU of 7f1t by Molmil
Crystal structure of the human chemokine receptor CCR5 in complex with MIP-1a
Descriptor: C-C motif chemokine 3,C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ZINC ION
Authors:Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2021-06-09
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021
8HZQ
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BU of 8hzq by Molmil
Bacillus subtilis SepF protein assembly (wild type)
Descriptor: Cell division protein SepF
Authors:Liu, W.
Deposit date:2023-01-09
Release date:2024-02-14
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Molecular basis for curvature formation in SepF polymerization.
Proc.Natl.Acad.Sci.USA, 121, 2024
7F1Q
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BU of 7f1q by Molmil
Cryo-EM structure of the chemokine receptor CCR5 in complex with MIP-1a and Gi
Descriptor: C-C motif chemokine 3,C-C chemokine receptor type 5, 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:Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2021-06-09
Release date:2021-07-14
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021
7F1S
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BU of 7f1s by Molmil
Cryo-EM structure of the apo chemokine receptor CCR5 in complex with Gi
Descriptor: C-C chemokine receptor type 5, 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:Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2021-06-09
Release date:2021-07-14
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021

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