7BEW
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7BEX
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3D5Q
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![BU of 3d5q by Molmil](/molmil-images/mine/3d5q) | Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor | Descriptor: | 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wang, Z, Liu, J, Sudom, A, Walker, N.P.C. | Deposit date: | 2008-05-16 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1. Bioorg.Med.Chem., 16, 2008
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5LRX
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![BU of 5lrx by Molmil](/molmil-images/mine/5lrx) | Structure of A20 OTU domain bound to ubiquitin | Descriptor: | Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3 | Authors: | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | Deposit date: | 2016-08-22 | Release date: | 2016-10-19 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne. Nature, 538, 2016
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7C8S
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![BU of 7c8s by Molmil](/molmil-images/mine/7c8s) | Crystal structure of DUSP22 mutant_N128A | Descriptor: | Dual specificity protein phosphatase 22, SULFATE ION | Authors: | Lai, C.H, Lyu, P.C. | Deposit date: | 2020-06-03 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases. Int J Mol Sci, 21, 2020
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6H7J
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![BU of 6h7j by Molmil](/molmil-images/mine/6h7j) | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST ISOPRENALINE AND NANOBODY Nb80 | Descriptor: | Beta-1 adrenergic receptor, Camelid antibody fragment Nb80, HEGA-10, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-07-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for high-affinity agonist binding in GPCRs. Science, 364, 2019
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3EQR
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![BU of 3eqr by Molmil](/molmil-images/mine/3eqr) | Crystal Structure of Ack1 with compound T74 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3EEI
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![BU of 3eei by Molmil](/molmil-images/mine/3eei) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5-methylthioadenosine nucleosidase/S-adenosylhomocysteine nucleosidase | Authors: | Ho, M, Rinaldo-matthis, A, Brown, R.L, Norris, G.E, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-09-04 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A To be Published
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4U0P
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![BU of 4u0p by Molmil](/molmil-images/mine/4u0p) | The Crystal Structure of Lipoyl Synthase in Complex with S-Adenosyl Homocysteine | Descriptor: | IRON/SULFUR CLUSTER, Lipoyl synthase 2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Harmer, J.E, Hiscox, M.J, Sandy, J, Dinis, P.C, Roach, P.L. | Deposit date: | 2014-07-13 | Release date: | 2014-08-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions. Biochem.J., 464, 2014
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4U0O
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![BU of 4u0o by Molmil](/molmil-images/mine/4u0o) | Crystal structure of Thermosynechococcus elongatus Lipoyl Synthase 2 complexed with MTA and DTT | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, IRON/SULFUR CLUSTER, ... | Authors: | Harmer, J.E, Hiscox, M.J, Dinis, P.C, Sandy, J, Roach, P.L. | Deposit date: | 2014-07-13 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions. Biochem.J., 464, 2014
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4UHR
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![BU of 4uhr by Molmil](/molmil-images/mine/4uhr) | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | Descriptor: | 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR | Authors: | Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2015-03-25 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor. Mol.Pharmacol., 87, 2015
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4UG2
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![BU of 4ug2 by Molmil](/molmil-images/mine/4ug2) | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR | Authors: | Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2015-03-21 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor. Mol.Pharmacol., 87, 2015
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4V26
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![BU of 4v26 by Molmil](/molmil-images/mine/4v26) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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8TY1
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4V25
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![BU of 4v25 by Molmil](/molmil-images/mine/4v25) | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-(4-{[(difluoroacetyl)amino]methyl}benzyl)-2,4-dihydroxybenzamide, ... | Authors: | Moore, J.D, Staniszewska, A, Shaw, T, D'Alessandro, J, Davis, B, Surgenor, A, Baker, L, Matassova, N, Murray, J, Macias, A, Brough, P, Wood, M, Mahon, P.C. | Deposit date: | 2014-10-06 | Release date: | 2014-12-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells. Oncotarget, 5, 2014
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4V5M
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![BU of 4v5m by Molmil](/molmil-images/mine/4v5m) | tRNA tranlocation on the 70S ribosome: the pre-translocational translocation intermediate TI(PRE) | Descriptor: | 16S RRNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Ratje, A.H, Loerke, J, Mikolajka, A, Bruenner, M, Hildebrand, P.W, Starosta, A.L, Doenhoefer, A, Connell, S.R, Fucini, P, Mielke, T, Whitford, P.C, Onuchic, J.N, Yu, Y, Sanbonmatsu, K.Y, Hartmann, R.K, Penczek, P.A, Wilson, D.N, Spahn, C.M.T. | Deposit date: | 2010-10-01 | Release date: | 2014-07-09 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Head Swivel on the Ribosome Facilitates Translocation by Means of Intra-Subunit tRNA Hybrid Sites. Nature, 468, 2010
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8TAA
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8U77
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![BU of 8u77 by Molmil](/molmil-images/mine/8u77) | Crystal structure of Taf14 in complex with Yng1 | Descriptor: | Protein YNG1, Transcription initiation factor TFIID subunit 14 | Authors: | Nguyen, M.C, Wei, P.C, Zhang, G.Y, Kutateladze, T.G. | Deposit date: | 2023-09-14 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Molecular insight into interactions between the Taf14, Yng1 and Sas3 subunits of the NuA3 complex. Nat Commun, 15, 2024
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8WD5
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8W35
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![BU of 8w35 by Molmil](/molmil-images/mine/8w35) | Aca2 from Pectobacterium phage ZF40 bound to RNA | Descriptor: | Anti-CRISPR associated (Aca) protein, Aca2, IR2 and IR-RBS RNA | Authors: | Wilkinson, M.E, Birkholz, N, Kimanius, D, Fineran, P.C. | Deposit date: | 2024-02-21 | Release date: | 2024-07-24 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Phage anti-CRISPR control by an RNA- and DNA-binding helix-turn-helix protein. Nature, 631, 2024
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8VLK
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![BU of 8vlk by Molmil](/molmil-images/mine/8vlk) | Crystal structure of the yeast cytosine deaminase containing both open and closed active sites | Descriptor: | 1,2-ETHANEDIOL, Cytosine deaminase, SULFATE ION, ... | Authors: | Picard, M.-E, Grenier, J, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R. | Deposit date: | 2024-01-11 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Compensatory mutations potentiate constructive neutral evolution by gene duplication. Science, 385, 2024
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8VLJ
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![BU of 8vlj by Molmil](/molmil-images/mine/8vlj) | Crystal structure of the cacodylate-bound yeast cytosine deaminase (closed form) | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, Cytosine deaminase, ... | Authors: | Picard, M.-E, Grenier, J, Despres, P.C, Dube, A.K, Landry, C.R, Shi, R. | Deposit date: | 2024-01-11 | Release date: | 2024-08-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Compensatory mutations potentiate constructive neutral evolution by gene duplication. Science, 385, 2024
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6KTH
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![BU of 6kth by Molmil](/molmil-images/mine/6kth) | Crystal structure of Juvenile hormone diol kinase JHDK-L2 from silkworm, Bombyx mori | Descriptor: | CALCIUM ION, GLYCEROL, Juvenile hormone diol kinase | Authors: | Zhang, Y.S, Xu, H.Y, Wang, Z, Zhang, L, Zhao, P, Guo, P.C. | Deposit date: | 2019-08-28 | Release date: | 2020-09-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structural characterization and functional analysis of juvenile hormone diol kinase from the silkworm, Bombyx mori. Int.J.Biol.Macromol., 167, 2021
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5KQN
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4WRD
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![BU of 4wrd by Molmil](/molmil-images/mine/4wrd) | |