2MGP
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![BU of 2mgp by Molmil](/molmil-images/mine/2mgp) | Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain | Descriptor: | Merozoite surface protein 1 | Authors: | Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A. | Deposit date: | 2013-11-03 | Release date: | 2014-02-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design OPEN BIOLOGY, 4, 2014
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2MGR
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![BU of 2mgr by Molmil](/molmil-images/mine/2mgr) | Structure of Plasmodium Yoelii Merozoite Surface Protein 1 - C-terminal Domain, E28K mutant | Descriptor: | Merozoite surface protein 1 | Authors: | Curd, R.D, Birdsall, B, Kadekoppala, M, Ogun, S, Kelly, G, Holder, A.A. | Deposit date: | 2013-11-04 | Release date: | 2014-02-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The structure of Plasmodium yoelii merozoite surface protein 119, antibody specificity and implications for malaria vaccine design OPEN BIOLOGY, 4, 2014
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2MYM
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![BU of 2mym by Molmil](/molmil-images/mine/2mym) | |
5FN7
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![BU of 5fn7 by Molmil](/molmil-images/mine/5fn7) | 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
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5FMV
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![BU of 5fmv by Molmil](/molmil-images/mine/5fmv) | 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
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5FN6
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![BU of 5fn6 by Molmil](/molmil-images/mine/5fn6) | 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
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5FN8
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![BU of 5fn8 by Molmil](/molmil-images/mine/5fn8) | 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
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4CSE
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![BU of 4cse by Molmil](/molmil-images/mine/4cse) | PIH N-terminal domain | Descriptor: | PIH1 DOMAIN-CONTAINING PROTEIN 1, TELOMERE LENGTH REGULATION PROTEIN TEL2 HOMOLOG | Authors: | Morgan, R.M, Roe, S.M. | Deposit date: | 2014-03-07 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1. Structure, 22, 2014
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4CKT
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![BU of 4ckt by Molmil](/molmil-images/mine/4ckt) | PIH1 N-terminal domain | Descriptor: | PIH1 DOMAIN-CONTAINING PROTEIN 1, TELOMERE LENGTH REGULATION PROTEIN TEL2 HOMOLOG | Authors: | Morgan, R.M, Roe, S.M. | Deposit date: | 2014-01-08 | Release date: | 2014-05-14 | Last modified: | 2014-06-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1. Structure, 22, 2014
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4CV4
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![BU of 4cv4 by Molmil](/molmil-images/mine/4cv4) | PIH N-terminal domain | Descriptor: | COBALT (II) ION, PIH1 DOMAIN-CONTAINING PROTEIN 1, SULFATE ION | Authors: | Morgan, R.M, Roe, S.M. | Deposit date: | 2014-03-23 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1. Structure, 22, 2014
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8C0H
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5JI0
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![BU of 5ji0 by Molmil](/molmil-images/mine/5ji0) | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid | Descriptor: | (9cis)-retinoic acid, 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), ... | Authors: | Bloudoff, K, Larsen, N.A. | Deposit date: | 2016-04-21 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid To Be Published
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6FO1
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![BU of 6fo1 by Molmil](/molmil-images/mine/6fo1) | Human R2TP subcomplex containing 1 RUVBL1-RUVBL2 hexamer bound to 1 RBD domain from RPAP3. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RNA polymerase II-associated protein 3, RuvB-like 1, ... | Authors: | Martino, F, Munoz-Hernandez, H, Rodriguez, C.F, Pearl, L.H, Llorca, O. | Deposit date: | 2018-02-05 | Release date: | 2018-04-04 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | RPAP3 provides a flexible scaffold for coupling HSP90 to the human R2TP co-chaperone complex. Nat Commun, 9, 2018
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5MGX
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![BU of 5mgx by Molmil](/molmil-images/mine/5mgx) | |
6U63
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![BU of 6u63 by Molmil](/molmil-images/mine/6u63) | Mcl-1 bound to compound 17 | Descriptor: | 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U6F
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![BU of 6u6f by Molmil](/molmil-images/mine/6u6f) | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | Descriptor: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U65
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![BU of 6u65 by Molmil](/molmil-images/mine/6u65) | Mcl-1 bound to compound 19 | Descriptor: | 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U64
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![BU of 6u64 by Molmil](/molmil-images/mine/6u64) | Mcl-1 bound to compound 17 | Descriptor: | 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6U67
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![BU of 6u67 by Molmil](/molmil-images/mine/6u67) | Mcl-1 bound to compound 24 | Descriptor: | 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid, BIPHENYL, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Stuckey, J.A. | Deposit date: | 2019-08-29 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins. J.Med.Chem., 63, 2020
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6QI9
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![BU of 6qi9 by Molmil](/molmil-images/mine/6qi9) | Truncated human R2TP complex, structure 4 (ADP-empty) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2 | Authors: | Munoz-Hernandez, H, Rodriguez, C.F, Llorca, O. | Deposit date: | 2019-01-18 | Release date: | 2019-05-15 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.63 Å) | Cite: | Structural mechanism for regulation of the AAA-ATPases RUVBL1-RUVBL2 in the R2TP co-chaperone revealed by cryo-EM. Sci Adv, 5, 2019
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6QI8
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![BU of 6qi8 by Molmil](/molmil-images/mine/6qi8) | Truncated human R2TP complex, structure 3 (ADP-filled) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2 | Authors: | Munoz-Hernandez, H, Rodriguez, C.F, Llorca, O. | Deposit date: | 2019-01-18 | Release date: | 2019-04-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structural mechanism for regulation of the AAA-ATPases RUVBL1-RUVBL2 in the R2TP co-chaperone revealed by cryo-EM. Sci Adv, 5, 2019
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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/6chz) | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | Authors: | Larsen, N.A. | Deposit date: | 2018-02-23 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6CCY
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![BU of 6ccy by Molmil](/molmil-images/mine/6ccy) | Crystal structure of Akt1 in complex with a selective inhibitor | Descriptor: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide | Authors: | Wang, Y, Stout, S. | Deposit date: | 2018-02-07 | Release date: | 2018-05-02 | Last modified: | 2018-05-16 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT. Bioorg. Med. Chem. Lett., 28, 2018
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6PEB
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![BU of 6peb by Molmil](/molmil-images/mine/6peb) | Crystal Structure of human NAMPT in complex with NVP-LTM976 | Descriptor: | N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Weihofen, W.A. | Deposit date: | 2019-06-20 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT). Acs Med.Chem.Lett., 10, 2019
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7S5S
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![BU of 7s5s by Molmil](/molmil-images/mine/7s5s) | CTX-M-15 WT in complex with BLIP WT | Descriptor: | Beta-lactamase, Beta-lactamase inhibitory protein | Authors: | Lu, S, Palzkill, T, Hu, L.Y, Prasad, B.V.V, Sankaran, B. | Deposit date: | 2021-09-11 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An active site loop toggles between conformations to control antibiotic hydrolysis and inhibition potency for CTX-M beta-lactamase drug-resistance enzymes. Nat Commun, 13, 2022
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