5O3F
 
 | | Human Brd2(BD2) mutant in complex with ET-Am1 | | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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1T7M
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxYF motif | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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1T74
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxLF motif | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-07 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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5O3E
 | | Human Brd2(BD2) mutant in complex with Me-Am1 | | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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5O3A
 | | Human Brd2(BD2) mutant in complex with ET | | Descriptor: | Bromodomain-containing protein 2, methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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5O3B
 | | Human Brd2(BD2) mutant in complex with AL | | Descriptor: | Bromodomain-containing protein 2, methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate | | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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5O3H
 | | Human Brd2(BD2) mutant in complex with 9-ME-Am1 | | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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5O3G
 | | Human Brd2(BD2) mutant in complex with AL-Am1 | | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide, Bromodomain-containing protein 2 | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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7EXZ
 | | DgpB-DgpC complex apo 2.5 angstrom | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AP_endonuc_2 domain-containing protein, DgpB, ... | | Authors: | Mori, T, Senda, M, Senda, T, Abe, I. | | Deposit date: | 2021-05-29 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
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4UY9
 | | Structure of MLK1 kinase domain with leucine zipper 1 | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 9 | | Authors: | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | | Deposit date: | 2014-08-29 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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7BVR
 | | DgpB-DgpC complex apo | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AP_endonuc_2 domain-containing protein, DgpB, ... | | Authors: | Mori, T, He, H, Abe, I. | | Deposit date: | 2020-04-11 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
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4UYA
 | | Structure of MLK4 kinase domain with ATPgammaS | | Descriptor: | MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | | Deposit date: | 2014-08-29 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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8DY5
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8DY1
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7DRD
 | | Cryo-EM structure of DgpB-C at 2.85 angstrom resolution | | Descriptor: | AP_endonuc_2 domain-containing protein, DgpB | | Authors: | Mori, T, Moriya, T, Adachi, N, Senda, T, Abe, I. | | Deposit date: | 2020-12-28 | | Release date: | 2021-12-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
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6YTM
 | | Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe | | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Bromodomain-containing protein 2, methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | | Authors: | Bond, A.G, Ciulli, A, Cowan, A.D. | | Deposit date: | 2020-04-24 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Stereoselective synthesis of allele-specific BET inhibitors.
Org.Biomol.Chem., 18, 2020
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5YPX
 | | Crystal structure of calaxin with magnesium | | Descriptor: | Calaxin, MAGNESIUM ION | | Authors: | Shojima, T, Hou, F, Takahashi, Y, Okai, M, Mizuno, K, Inaba, K, Miyakawa, T, Tanokura, M. | | Deposit date: | 2017-11-04 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structure of a Ca2+-dependent regulator of flagellar motility reveals the open-closed structural transition
Sci Rep, 8, 2018
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3GZX
 | | Crystal Structure of the Biphenyl Dioxygenase in complex with Biphenyl from Comamonas testosteroni Sp. Strain B-356 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BIPHENYL, Biphenyl dioxygenase subunit alpha, ... | | Authors: | Kumar, P, Colbert, C.L, Bolin, J.T. | | Deposit date: | 2009-04-08 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Plos One, 8, 2013
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5X9A
 | | Crystal structure of calaxin with calcium | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Calaxin | | Authors: | Shojima, T, Hou, F, Takahashi, Y, Okai, M, Mizuno, K, Inaba, K, Miyakawa, T, Tanokura, M. | | Deposit date: | 2017-03-06 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a Ca2+-dependent regulator of flagellar motility reveals the open-closed structural transition
Sci Rep, 8, 2018
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3GZY
 | | Crystal Structure of the Biphenyl Dioxygenase from Comamonas testosteroni Sp. Strain B-356 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Biphenyl dioxygenase subunit alpha, Biphenyl dioxygenase subunit beta, ... | | Authors: | Kumar, P, Colbert, C.L, Bolin, J.T. | | Deposit date: | 2009-04-08 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Plos One, 8, 2013
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7W7R
 | | High resolution structure of a fish aquaporin reveals a novel extracellular fold. | | Descriptor: | Aquaporin 1 | | Authors: | Zeng, J, Schmitz, F, Isaksson, S, Glas, J, Arbab, O, Andersson, M, Sundell, K, Eriksson, L, Swaminathan, K, Tornroth-Horsefield, S, Hedfalk, K. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | High-resolution structure of a fish aquaporin reveals a novel extracellular fold.
Life Sci Alliance, 5, 2022
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7W7S
 | | High resolution structure of a fish aquaporin reveals a novel extracellular fold. | | Descriptor: | Aquaporin 1 | | Authors: | Zeng, J, Schmitz, F, Isaksson, S, Glas, J, Arbab, O, Andersson, M, Sundell, K, Eriksson, L, Swaminathan, K, Tornroth-Horsefield, S, Hedfalk, K. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution structure of a fish aquaporin reveals a novel extracellular fold.
Life Sci Alliance, 5, 2022
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5ABW
 | | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases | | Descriptor: | 1-(3-CHLOROPHENYL)-5-(3,5-DIMETHYLISOXAZOL-4-YL)-6-METHYL-N-[4-(METHYLSULFONYL)BENZYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | von Nussbaum, F, Li, V.M, Schaefer, M. | | Deposit date: | 2015-08-10 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores.
Bioorg. Med. Chem. Lett., 25, 2015
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6LJA
 | | Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product | | Descriptor: | 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein | | Authors: | Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z. | | Deposit date: | 2019-12-13 | | Release date: | 2020-12-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
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6UVU
 | | Crystal structure of the AntR antimony-specific transcriptional repressor | | Descriptor: | ArsR family transcriptional regulator | | Authors: | Thiruselvam, V, Banumathi, S, Palani, K, Manohar, R, Rosen, B.P. | | Deposit date: | 2019-11-04 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional and structural characterization of AntR, an Sb(III) responsive transcriptional repressor.
Mol.Microbiol., 116, 2021
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