5EC9
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![BU of 5ec9 by Molmil](/molmil-images/mine/5ec9) | Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2 | Descriptor: | 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | Authors: | Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R. | Deposit date: | 2015-10-20 | Release date: | 2016-03-09 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation. J.Med.Chem., 59, 2016
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7XKA
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![BU of 7xka by Molmil](/molmil-images/mine/7xka) | Structure of human beta2 adrenergic receptor bound to constrained epinephrine | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7XK9
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![BU of 7xk9 by Molmil](/molmil-images/mine/7xk9) | Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | Descriptor: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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6O8G
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![BU of 6o8g by Molmil](/molmil-images/mine/6o8g) | Crystal structure of UvrB bound to fully duplex DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*CP*GP*AP*TP*GP*GP*AP*GP*A)-3'), ... | Authors: | Lee, S.-J, Sung, R.-J, Verdine, G.L. | Deposit date: | 2019-03-10 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Mechanism of DNA Lesion Homing and Recognition by the Uvr Nucleotide Excision Repair System. Res, 2019, 2019
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6OBA
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![BU of 6oba by Molmil](/molmil-images/mine/6oba) | The beta2 adrenergic receptor bound to a negative allosteric modulator | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | Authors: | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor. Nat.Chem.Biol., 16, 2020
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5N2W
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![BU of 5n2w by Molmil](/molmil-images/mine/5n2w) | WT-Parkin and pUB complex | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ... | Authors: | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | Deposit date: | 2017-02-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity. Nat. Struct. Mol. Biol., 24, 2017
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5N38
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![BU of 5n38 by Molmil](/molmil-images/mine/5n38) | S65DParkin and pUB complex | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, ... | Authors: | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | Deposit date: | 2017-02-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity. Nat. Struct. Mol. Biol., 24, 2017
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8OV6
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![BU of 8ov6 by Molmil](/molmil-images/mine/8ov6) | Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ... | Authors: | Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A. | Deposit date: | 2023-04-25 | Release date: | 2023-05-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Targeted protein degradation via intramolecular bivalent glues. Nature, 627, 2024
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4A7Z
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![BU of 4a7z by Molmil](/molmil-images/mine/4a7z) | Complex of bifunctional aldos-2-ulose dehydratase with the reaction intermediate ascopyrone M | Descriptor: | ALDOS-2-ULOSE DEHYDRATASE, Ascopyrone M, MAGNESIUM ION, ... | Authors: | Claesson, M, Lindqvist, Y, Madrid, S, Sandalova, T, Fiskesund, R, Yu, S, Schneider, G. | Deposit date: | 2011-11-15 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Bifunctional Aldos-2-Ulose Dehydratase/Isomerase from Phanerochaete Chrysosporium with the Reaction Intermediate Ascopyrone M. J.Mol.Biol., 417, 2012
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4A7Y
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![BU of 4a7y by Molmil](/molmil-images/mine/4a7y) | Active site metal depleted aldos-2-ulose dehydratase | Descriptor: | 1,5-anhydro-D-fructose, ALDOS-2-ULOSE DEHYDRATASE, MAGNESIUM ION, ... | Authors: | Claesson, M, Lindqvist, Y, Madrid, S, Sandalova, T, Fiskesund, R, Yu, S, Schneider, G. | Deposit date: | 2011-11-15 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Bifunctional Aldos-2-Ulose Dehydratase/Isomerase from Phanerochaete Chrysosporium with the Reaction Intermediate Ascopyrone M. J.Mol.Biol., 417, 2012
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4A7K
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![BU of 4a7k by Molmil](/molmil-images/mine/4a7k) | Bifunctional Aldos-2-ulose dehydratase | Descriptor: | ALDOS-2-ULOSE DEHYDRATASE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Claesson, M, Lindqvist, Y, Madrid, S, Sandalova, T, Fiskesund, R, Yu, S, Schneider, G. | Deposit date: | 2011-11-14 | Release date: | 2012-03-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Bifunctional Aldos-2-Ulose Dehydratase/Isomerase from Phanerochaete Chrysosporium with the Reaction Intermediate Ascopyrone M. J.Mol.Biol., 417, 2012
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1CS4
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![BU of 1cs4 by Molmil](/molmil-images/mine/1cs4) | COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH 2'-DEOXY-ADENOSINE 3'-MONOPHOSPHATE, PYROPHOSPHATE AND MG | Descriptor: | 2'-DEOXY-ADENOSINE 3'-MONOPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | Authors: | Tesmer, J.J.G, Dessauer, C.A, Sunahara, R.K, Johnson, R.A, Gilman, A.G, Sprang, S.R. | Deposit date: | 1999-08-16 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis for P-site inhibition of adenylyl cyclase. Biochemistry, 39, 2000
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1V5C
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![BU of 1v5c by Molmil](/molmil-images/mine/1v5c) | The crystal structure of the inactive form chitosanase from Bacillus sp. K17 at pH3.7 | Descriptor: | SULFATE ION, chitosanase | Authors: | Adachi, W, Shimizu, S, Sunami, T, Fukazawa, T, Suzuki, M, Yatsunami, R, Nakamura, S, Takenaka, A. | Deposit date: | 2003-11-22 | Release date: | 2004-12-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of family GH-8 chitosanase with subclass II specificity from Bacillus sp. K17 J.MOL.BIOL., 343, 2004
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1V5D
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![BU of 1v5d by Molmil](/molmil-images/mine/1v5d) | The crystal structure of the active form chitosanase from Bacillus sp. K17 at pH6.4 | Descriptor: | PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), chitosanase | Authors: | Adachi, W, Shimizu, S, Sunami, T, Fukazawa, T, Suzuki, M, Yatsunami, R, Nakamura, S, Takenaka, A. | Deposit date: | 2003-11-22 | Release date: | 2004-12-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of family GH-8 chitosanase with subclass II specificity from Bacillus sp. K17 J.MOL.BIOL., 343, 2004
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1CUL
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![BU of 1cul by Molmil](/molmil-images/mine/1cul) | COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH 2',5'-DIDEOXY-ADENOSINE 3'-TRIPHOSPHATE AND MG | Descriptor: | 2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | Authors: | Tesmer, J.J.G, Dessauer, C.A, Sunahara, R.K, Johnson, R.A, Gilman, A.G, Sprang, S.R. | Deposit date: | 1999-08-20 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for P-site inhibition of adenylyl cyclase. Biochemistry, 39, 2000
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1FBZ
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![BU of 1fbz by Molmil](/molmil-images/mine/1fbz) | Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | Authors: | Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T. | Deposit date: | 2000-07-17 | Release date: | 2000-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity. Proc.Natl.Acad.Sci.Usa, 97, 2000
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8ANE
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![BU of 8ane by Molmil](/molmil-images/mine/8ane) | Structure of the type I-G CRISPR effector | Descriptor: | Cas7, RNA (66-MER) | Authors: | Shangguan, Q, Graham, S, Sundaramoorthy, R, White, M.F. | Deposit date: | 2022-08-05 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure and mechanism of the type I-G CRISPR effector. Nucleic Acids Res., 50, 2022
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7BVQ
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![BU of 7bvq by Molmil](/molmil-images/mine/7bvq) | Structure of human beta1 adrenergic receptor bound to carazolol | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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6VMS
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![BU of 6vms by Molmil](/molmil-images/mine/6vms) | Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane | Descriptor: | Endolysin,D(2) dopamine receptor,D(2) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Yin, J, Chen, K.M, Clark, M.J, Hijazi, M, Kumari, P, Bai, X, Sunahara, R.K, Barth, P, Rosenbaum, D.M. | Deposit date: | 2020-01-28 | Release date: | 2020-06-17 | Last modified: | 2020-08-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of a D2 dopamine receptor-G-protein complex in a lipid membrane. Nature, 584, 2020
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5AGC
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![BU of 5agc by Molmil](/molmil-images/mine/5agc) | Crystallographic forms of the Vps75 tetramer | Descriptor: | VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 75 | Authors: | Hammond, C.M, Sundaramoorthy, R, Owen-Hughes, T. | Deposit date: | 2015-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The Histone Chaperone Vps75 Forms Multiple Oligomeric Assemblies Capable of Mediating Exchange between Histone H3-H4 Tetramers and Asf1-H3-H4 Complexes. Nucleic Acids Res., 44, 2016
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7BU7
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![BU of 7bu7 by Molmil](/molmil-images/mine/7bu7) | Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BU6
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![BU of 7bu6 by Molmil](/molmil-images/mine/7bu6) | Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BTS
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![BU of 7bts by Molmil](/molmil-images/mine/7bts) | Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-02 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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8B2X
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![BU of 8b2x by Molmil](/molmil-images/mine/8b2x) | |
5C23
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![BU of 5c23 by Molmil](/molmil-images/mine/5c23) | Parkin (S65DUblR0RBR) | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | Kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | Deposit date: | 2015-06-15 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis. Embo J., 34, 2015
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