1XCY
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![BU of 1xcy by Molmil](/molmil-images/mine/1xcy) | Structure of DNA containing the alpha-anomer of a carbocyclic abasic site | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*(DXD)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*AP*GP*TP*AP*CP*G)-3' | Authors: | de los Santos, C, El-khateeb, M, Rege, P, Tian, K, Johnson, F. | Deposit date: | 2004-09-03 | Release date: | 2004-10-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Impact of the C1 configuration of abasic sites on DNA duplex structure Biochemistry, 43, 2004
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1XCZ
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![BU of 1xcz by Molmil](/molmil-images/mine/1xcz) | Structure of DNA containing the beta-anomer of a carbocyclic abasic site | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*(DXD)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*AP*GP*TP*AP*CP*G)-3' | Authors: | de los Santos, C, El-khateeb, M, Rege, P, Tian, K, Johnson, F. | Deposit date: | 2004-09-03 | Release date: | 2004-10-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Impact of the C1 configuration of abasic sites on DNA duplex structure Biochemistry, 43, 2004
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4UDT
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![BU of 4udt by Molmil](/molmil-images/mine/4udt) | T cell receptor (TRAV22,TRBV7-9) structure | Descriptor: | GLYCEROL, PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION, ... | Authors: | Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K. | Deposit date: | 2014-12-11 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition. Plos One, 10, 2015
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4UDU
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![BU of 4udu by Molmil](/molmil-images/mine/4udu) | Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor | Descriptor: | ENTEROTOXIN TYPE E, PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION, ... | Authors: | Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K. | Deposit date: | 2014-12-11 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition. Plos One, 10, 2015
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5FKA
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![BU of 5fka by Molmil](/molmil-images/mine/5fka) | Crystal structure of staphylococcal enterotoxin E in complex with a T cell receptor | Descriptor: | STAPHYLOCOCCAL ENTEROTOXIN E, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN, ... | Authors: | Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K. | Deposit date: | 2015-10-15 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins. Sci.Rep., 6, 2016
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5FK9
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![BU of 5fk9 by Molmil](/molmil-images/mine/5fk9) | |
4UY2
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![BU of 4uy2 by Molmil](/molmil-images/mine/4uy2) | Crystal structure of the complex of the extracellular domain of human alpha9 nAChR with alpha-bungarotoxin. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-BUNGAROTOXIN ISOFORM V31, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 | Authors: | Giastas, P, Zouridakis, M, Zarkadas, E, Tzartos, S.J. | Deposit date: | 2014-08-28 | Release date: | 2014-10-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Crystal Structures of Free and Antagonist-Bound States of Human Alpha9 Nicotinic Receptor Extracellular Domain Nat.Struct.Mol.Biol., 21, 2014
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4UXU
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![BU of 4uxu by Molmil](/molmil-images/mine/4uxu) | Crystal Structure of the Extracellular Domain of the Human Alpha9 Nicotinic Acetylcholine Receptor In Complex with Methyllycaconitine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Zouridakis, M, Giastas, P, Zarkadas, E, Tzartos, S.J. | Deposit date: | 2014-08-27 | Release date: | 2014-10-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Crystal Structures of Free and Antagonist-Bound States of Human Alpha9 Nicotinic Receptor Extracellular Domain Nat.Struct.Mol.Biol., 21, 2014
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5LPJ
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![BU of 5lpj by Molmil](/molmil-images/mine/5lpj) | |
4D01
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![BU of 4d01 by Molmil](/molmil-images/mine/4d01) | Crystal Structure of the Extracellular Domain of the Human Alpha9 Nicotinic Acetylcholine Receptor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-9 | Authors: | Giastas, P, Zouridakis, M, Zarkadas, E, Tzartos, S.J. | Deposit date: | 2014-04-23 | Release date: | 2014-10-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Crystal Structures of Free and Antagonist-Bound States of Human Alpha9 Nicotinic Receptor Extracellular Domain Nat.Struct.Mol.Biol., 21, 2014
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7R5B
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![BU of 7r5b by Molmil](/molmil-images/mine/7r5b) | Crystal structure of BRD4(1) in complex with the inhibitor MPM2 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ... | Authors: | Huegle, M. | Deposit date: | 2022-02-10 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A novel pan-selective bromodomain inhibitor for epigenetic drug design Eur.J.Med.Chem., 249, 2023
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5LPK
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![BU of 5lpk by Molmil](/molmil-images/mine/5lpk) | |
5LPL
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![BU of 5lpl by Molmil](/molmil-images/mine/5lpl) | Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c | Descriptor: | CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2016-08-13 | Release date: | 2017-08-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LPM
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![BU of 5lpm by Molmil](/molmil-images/mine/5lpm) | Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d | Descriptor: | ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide | Authors: | Huegle, M, Wohlwend, D, Gerhardt, S. | Deposit date: | 2016-08-13 | Release date: | 2017-08-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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6RWJ
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![BU of 6rwj by Molmil](/molmil-images/mine/6rwj) | Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6) | Descriptor: | Bromodomain-containing protein 4, ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-06-05 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6S4B
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![BU of 6s4b by Molmil](/molmil-images/mine/6s4b) | Crystal Structure of BRD4(1) bound to inhibitor BUX1 (8) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, CALCIUM ION, ... | Authors: | Huegle, M. | Deposit date: | 2019-06-27 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6S6K
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![BU of 6s6k by Molmil](/molmil-images/mine/6s6k) | Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-03 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SA2
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![BU of 6sa2 by Molmil](/molmil-images/mine/6sa2) | Crystal Structure of BRD4(1) bound to inhibitor BUX3 (10) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SAH
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![BU of 6sah by Molmil](/molmil-images/mine/6sah) | Crystal Structure of BRD4(1) bound to inhibitor BUX5 (11) | Descriptor: | Bromodomain-containing protein 4, ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SA3
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![BU of 6sa3 by Molmil](/molmil-images/mine/6sa3) | Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13) | Descriptor: | Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SB8
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![BU of 6sb8 by Molmil](/molmil-images/mine/6sb8) | Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-19 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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6SAJ
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![BU of 6saj by Molmil](/molmil-images/mine/6saj) | Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-16 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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5NRW
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![BU of 5nrw by Molmil](/molmil-images/mine/5nrw) | |
5NU3
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![BU of 5nu3 by Molmil](/molmil-images/mine/5nu3) | Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM-CBP | Descriptor: | (R,R)-2,3-BUTANEDIOL, CREB-binding protein, SULFATE ION, ... | Authors: | Huegle, M, Wohlwend, D. | Deposit date: | 2017-04-28 | Release date: | 2017-08-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NU5
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![BU of 5nu5 by Molmil](/molmil-images/mine/5nu5) | |