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6DXK
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BU of 6dxk by Molmil
Glucocorticoid Receptor in complex with Compound 11
Descriptor: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor
Authors:Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S.
Deposit date:2018-06-29
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
5FN7
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BU of 5fn7 by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
Authors:Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
Deposit date:2015-11-10
Release date:2016-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5FMV
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BU of 5fmv by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION
Authors:Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
Deposit date:2015-11-09
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5FN6
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BU of 5fn6 by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
Authors:Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
Deposit date:2015-11-10
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5FN8
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BU of 5fn8 by Molmil
Crystal structure of rat CD45 extracellular region, domains d3-d4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C
Authors:Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
Deposit date:2015-11-11
Release date:2016-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5VY8
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BU of 5vy8 by Molmil
S. cerevisiae Hsp104-ADP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 104
Authors:Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
Deposit date:2017-05-24
Release date:2017-07-05
Last modified:2018-08-15
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
5VYA
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BU of 5vya by Molmil
S. cerevisiae Hsp104:casein complex, Extended Conformation
Descriptor: Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
Deposit date:2017-05-24
Release date:2017-07-05
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
5VY9
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BU of 5vy9 by Molmil
S. cerevisiae Hsp104:casein complex, Middle Domain Conformation
Descriptor: Alpha-S1-casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
Deposit date:2017-05-24
Release date:2017-07-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
5VJH
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BU of 5vjh by Molmil
Closed State CryoEM Reconstruction of Hsp104:ATPyS and FITC casein
Descriptor: FITC casein, Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Gates, S.N, Yokom, A.L, Lin, J.-B, Jackrel, M.E, Rizo, A.N, Kendsersky, N.M, Buell, C.E, Sweeny, E.A, Chuang, E, Torrente, M.P, Mack, K.L, Su, M, Shorter, J, Southworth, D.R.
Deposit date:2017-04-19
Release date:2017-07-05
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Ratchet-like polypeptide translocation mechanism of the AAA+ disaggregase Hsp104.
Science, 357, 2017
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
8T5F
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BU of 8t5f by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: Parathyroid hormone
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8T5E
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BU of 8t5e by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: Bcl-2-like protein 11, Bim_fulldiff
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-06-13
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
4MH1
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BU of 4mh1 by Molmil
Crystal structure and functional studies of quinoprotein L-sorbose dehydrogenase from Ketogulonicigenium vulgare Y25
Descriptor: CALCIUM ION, PYRROLOQUINOLINE QUINONE, Sorbose dehydrogenase
Authors:Han, X, Liu, X.
Deposit date:2013-08-29
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of L-sorbose dehydrogenase, a pyrroloquinoline quinone-dependent enzyme with homodimeric assembly, from Ketogulonicigenium vulgare
Biotechnol.Lett., 36, 2014
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
8GJI
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BU of 8gji by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: GCG binder, Glucagon
Authors:Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-03-15
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8GJG
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BU of 8gjg by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
Descriptor: gluc_A04_0005, gluc_A04_0005 Binder
Authors:Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A.
Deposit date:2023-03-15
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
7C02
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BU of 7c02 by Molmil
Crystal structure of dimeric MERS-CoV receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-04-30
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
6D00
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BU of 6d00 by Molmil
Calcarisporiella thermophila Hsp104
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Calcarisporiella thermophila Hsp104
Authors:Zhang, K, Pintilie, G.
Deposit date:2018-04-09
Release date:2019-04-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Structure, 27, 2019
7TTR
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BU of 7ttr by Molmil
Skd3_ATPyS_FITC-casein Hexamer, AAA+ only
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Beta-casein, Caseinolytic peptidase B protein homolog, ...
Authors:Rizo, A.N.
Deposit date:2022-02-01
Release date:2022-09-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Unique structural features govern the activity of a human mitochondrial AAA+ disaggregase, Skd3.
Cell Rep, 40, 2022
7TTS
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BU of 7tts by Molmil
Skd3, hexamer, filtered
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Beta-casein, Caseinolytic peptidase B protein homolog, ...
Authors:Rizo, A.N, Cupo, R.R.
Deposit date:2022-02-01
Release date:2022-09-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Unique structural features govern the activity of a human mitochondrial AAA+ disaggregase, Skd3.
Cell Rep, 40, 2022
6AZY
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BU of 6azy by Molmil
Crystal structure of Hsp104 R328M/R757M mutant from Calcarisporiella thermophila
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock protein Hsp104
Authors:Michalska, K, Bigelow, L, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-09-13
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Structure, 27, 2019

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