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7N9Z
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BU of 7n9z by Molmil
E. coli cytochrome bo3 in MSP nanodisc
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Vallese, F, Clarke, O.B.
Deposit date:2021-06-19
Release date:2021-09-01
Method:ELECTRON MICROSCOPY (2.19 Å)
Cite:Cryo-EM structures of Escherichia coli cytochrome bo 3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7L8P
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BU of 7l8p by Molmil
Integrin alphaIIbbeta3 in complex with sibrafiban
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.-Y, Springer, T.A.
Deposit date:2020-12-31
Release date:2022-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34995365 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
4V67
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BU of 4v67 by Molmil
Crystal structure of a translation termination complex formed with release factor RF2.
Descriptor: 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Asahara, H, Lancaster, L, Laurberg, M, Hirschi, A, Noller, H.F.
Deposit date:2008-10-27
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a translation termination complex formed with release factor RF2.
Proc.Natl.Acad.Sci.USA, 105, 2008
8WYP
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BU of 8wyp by Molmil
High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor
Descriptor: 3-bromanylimidazo[1,2-a]pyridin-6-amine, Bromodomain-containing protein 4
Authors:Liu, B, Ma, X.
Deposit date:2023-10-31
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:High resolution crystal structure of BRD4-BD1 in complex with a novel inhibitor precursor.
Biochem.Biophys.Res.Commun., 690, 2024
3VOD
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BU of 3vod by Molmil
Crystal Structure of mutant MarR C80S from E.coli
Descriptor: Multiple antibiotic resistance protein marR
Authors:Lou, H, Zhu, R, Hao, Z.
Deposit date:2012-01-21
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
6GW9
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BU of 6gw9 by Molmil
Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser
Descriptor: CALCIUM ION, Concanavalin V, MAGNESIUM ION
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-06-22
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6GWA
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BU of 6gwa by Molmil
Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser
Descriptor: Concanavalin B
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-06-22
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6H0K
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BU of 6h0k by Molmil
Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy
Descriptor: Lysozyme C
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-07-10
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6H0L
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BU of 6h0l by Molmil
Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy
Descriptor: Lysozyme C
Authors:Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I.
Deposit date:2018-07-10
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
4JBA
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BU of 4jba by Molmil
Crystal Structure of the Oxidized Form of MarR from E.coli
Descriptor: Multiple antibiotic resistance protein MarR
Authors:Lou, H, Zhu, R, Hao, Z.
Deposit date:2013-02-19
Release date:2013-10-16
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
6B3W
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BU of 6b3w by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
Authors:Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
Deposit date:2017-09-25
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
3DBD
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BU of 3dbd by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 094
Descriptor: 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBE
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BU of 3dbe by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557
Descriptor: 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide, Polo-like kinase 1
Authors:Elling, R.A, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
6V6W
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BU of 6v6w by Molmil
Crystal structure of antibody 438-B11 DSS mutant (Cys98A-100aA) in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab Heavy chain, ...
Authors:Kumar, S, Wilson, I.A.
Deposit date:2019-12-06
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:A VH1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite
Sci Adv, 6, 2020
8D7Y
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BU of 8d7y by Molmil
Cereblon-DDB1 in the Apo form with DDB1 in the twisted conformation
Descriptor: DNA damage-binding protein 1, Protein cereblon, ZINC ION
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
8D7X
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BU of 8d7x by Molmil
Cereblon~DDB1 in the Apo form with DDB1 in the hinged conformation
Descriptor: DNA damage-binding protein 1, Protein cereblon, ZINC ION
Authors:Watson, E.R, Lander, G.C.
Deposit date:2022-06-07
Release date:2022-07-20
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular glue CELMoD compounds are regulators of cereblon conformation.
Science, 378, 2022
7YVR
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BU of 7yvr by Molmil
Crystal Structure of L-Threonine Aldolase from Neptunomonas marina
Descriptor: GLYCEROL, L-threonine aldolase
Authors:He, Y.Z, Wang, J, Yan, W.P, Zhang, Y, Feng, Y.
Deposit date:2022-08-19
Release date:2023-05-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Engineering of the L-Threonine Aldolase from Neptunomonas marine for the Efficient Synthesis of beta-Hydroxy-alpha-amino Acids via C-C Formation
Acs Catalysis, 2023
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
Descriptor: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
Authors:Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
4ANL
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BU of 4anl by Molmil
Structure of G1269A Mutant Anaplastic Lymphoma Kinase
Descriptor: ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2012-03-20
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4ANQ
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BU of 4anq by Molmil
Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A.
Deposit date:2012-03-21
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
6IDX
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BU of 6idx by Molmil
Crystal Structure of BAI1/ELMO2 complex
Descriptor: Adhesion G protein-coupled receptor B1, Engulfment and cell motility protein 2
Authors:Weng, Z.F, Lin, L, Zhu, J.W, Zhang, R.G.
Deposit date:2018-09-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
6IE1
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BU of 6ie1 by Molmil
Crystal Structure of ELMO2(Engulfment and cell motility protein 2)
Descriptor: Engulfment and cell motility protein 2, GLYCEROL
Authors:Weng, Z.F, Lin, L, Zhang, R.G, Zhu, J.W.
Deposit date:2018-09-12
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
8SAI
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BU of 8sai by Molmil
Cryo-EM structure of GPR34-Gi complex
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:Yong, X.H, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2023-04-01
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023

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