7S99
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![BU of 7s99 by Molmil](/molmil-images/mine/7s99) | Room-temperature Human Hsp90a-NTD bound to N6M | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | Deposit date: | 2021-09-20 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew.Chem.Int.Ed.Engl., 61, 2022
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5A5E
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![BU of 5a5e by Molmil](/molmil-images/mine/5a5e) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, SULFATE ION, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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5A5F
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![BU of 5a5f by Molmil](/molmil-images/mine/5a5f) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MALONATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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6BYH
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3NH7
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![BU of 3nh7 by Molmil](/molmil-images/mine/3nh7) | Crystal structure of the neutralizing Fab fragment AbD1556 bound to the BMP type I receptor IA | Descriptor: | Antibody fragment Fab AbD1556, heavy chain, light chain, ... | Authors: | Mueller, T.D, Harth, S, Sebald, W. | Deposit date: | 2010-06-14 | Release date: | 2010-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A selection fit mechanism in BMP receptor IA as a possible source for BMP ligand-receptor promiscuity Plos One, 5, 2010
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4W55
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![BU of 4w55 by Molmil](/molmil-images/mine/4w55) | T4 Lysozyme L99A with n-Propylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6401 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W58
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![BU of 4w58 by Molmil](/molmil-images/mine/4w58) | T4 Lysozyme L99A with n-Pentylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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5DDC
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![BU of 5ddc by Molmil](/molmil-images/mine/5ddc) | Menin in complex with MI-2-3 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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7ZJ3
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![BU of 7zj3 by Molmil](/molmil-images/mine/7zj3) | Structure of TRIM2 RING domain in complex with UBE2D1~Ub conjugate | Descriptor: | Polyubiquitin-C, Tripartite motif-containing protein 2, Ubiquitin-conjugating enzyme E2 D1, ... | Authors: | Esposito, D, Garza-Garcia, A, Dudley-Fraser, J, Rittinger, K. | Deposit date: | 2022-04-08 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Divergent self-association properties of paralogous proteins TRIM2 and TRIM3 regulate their E3 ligase activity. Nat Commun, 13, 2022
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5D0K
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![BU of 5d0k by Molmil](/molmil-images/mine/5d0k) | Structure of UbE2D2:RNF165:Ub complex | Descriptor: | Polyubiquitin-B, RING finger protein 165, Ubiquitin-conjugating enzyme E2 D2, ... | Authors: | Wright, J.D, Day, C.L, Mace, P.D. | Deposit date: | 2015-08-03 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Secondary ubiquitin-RING docking enhances Arkadia and Ark2C E3 ligase activity. Nat.Struct.Mol.Biol., 23, 2016
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5DDA
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![BU of 5dda by Molmil](/molmil-images/mine/5dda) | Menin in complex with MI-333 | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DDF
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![BU of 5ddf by Molmil](/molmil-images/mine/5ddf) | Menin in complex with MI-273 | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5DD9
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![BU of 5dd9 by Molmil](/molmil-images/mine/5dd9) | Menin in complex with MI-326 | Descriptor: | 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5V86
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![BU of 5v86 by Molmil](/molmil-images/mine/5v86) | Structure of DCN1 bound to NAcM-OPT | Descriptor: | Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | Deposit date: | 2017-03-21 | Release date: | 2017-05-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase. Nat. Chem. Biol., 13, 2017
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6CPS
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4W52
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![BU of 4w52 by Molmil](/molmil-images/mine/4w52) | T4 Lysozyme L99A with Benzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5001 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W54
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![BU of 4w54 by Molmil](/molmil-images/mine/4w54) | T4 Lysozyme L99A with Ethylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7901 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W57
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![BU of 4w57 by Molmil](/molmil-images/mine/4w57) | T4 Lysozyme L99A with n-Butylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6801 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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5DDD
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![BU of 5ddd by Molmil](/molmil-images/mine/5ddd) | menin in complex with MI-836 | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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4RUO
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![BU of 4ruo by Molmil](/molmil-images/mine/4ruo) | Crystal structure of zVDR L337H mutant-gemini complex | Descriptor: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E), ... | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2014-11-21 | Release date: | 2015-10-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects. Cell Rep, 10, 2015
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4RUP
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![BU of 4rup by Molmil](/molmil-images/mine/4rup) | Crystal structure of zVDR L337H mutant-Gemini72 complex | Descriptor: | (1R,3R,7E,17beta)-17-[(1R)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,1 0-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2014-11-21 | Release date: | 2015-10-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A vitamin D receptor selectively activated by gemini analogs reveals ligand dependent and independent effects. Cell Rep, 10, 2015
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4U0E
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![BU of 4u0e by Molmil](/molmil-images/mine/4u0e) | Hexameric HIV-1 CA in complex with PF3450074 | Descriptor: | CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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4U0F
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![BU of 4u0f by Molmil](/molmil-images/mine/4u0f) | Hexameric HIV-1 CA in Complex with BI-2 | Descriptor: | (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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8OU3
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![BU of 8ou3 by Molmil](/molmil-images/mine/8ou3) | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 8d | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-fluoranyl-benzamide, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Heim, C, Bischof, L, Maiwald, S, Hartmann, M.D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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8OU5
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![BU of 8ou5 by Molmil](/molmil-images/mine/8ou5) | Cereblon isoform 4 in complex with novel Benzamide-Type Cereblon Binder 11b | Descriptor: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-(trifluoromethyl)benzamide, Cereblon isoform 4, ZINC ION | Authors: | Heim, C, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-04-21 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Leveraging Ligand Affinity and Properties: Discovery of Novel Benzamide-Type Cereblon Binders for the Design of PROTACs. J.Med.Chem., 66, 2023
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