3ERD
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![BU of 3erd by Molmil](/molmil-images/mine/3erd) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH DIETHYLSTILBESTROL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE | Descriptor: | ACETIC ACID, CHLORIDE ION, DIETHYLSTILBESTROL, ... | Authors: | Shiau, A.K, Barstad, D, Loria, P.M, Cheng, L, Kushner, P.J, Agard, D.A, Greene, G.L. | Deposit date: | 1999-03-31 | Release date: | 1999-04-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen. Cell(Cambridge,Mass.), 95, 1998
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5D3T
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![BU of 5d3t by Molmil](/molmil-images/mine/5d3t) | First bromodomain of BRD4 bound to inhibitor XD47 | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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4V2Q
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![BU of 4v2q by Molmil](/molmil-images/mine/4v2q) | Ironing out their differences: Dissecting the structural determinants of a phenylalanine aminomutase and ammonia lyase | Descriptor: | PHENYLALANINE AMMONIA-LYASE | Authors: | Heberling, M, Masman, M, Bartsch, S, Wybenga, G.G, Dijkstra, B.W, Marrink, S, Janssen, D. | Deposit date: | 2014-10-14 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ironing Out Their Differences: Dissecting the Structural Determinants of a Phenylalanine Aminomutase and Ammonia Lyase. Acs Chem.Biol., 10, 2015
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5V95
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![BU of 5v95 by Molmil](/molmil-images/mine/5v95) | |
1JT2
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![BU of 1jt2 by Molmil](/molmil-images/mine/1jt2) | STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERUL DOMAIN OF THE CELLULOSOMAL XYLANASE Z FROM C. THERMOCELLUM | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, PROTEIN (ENDO-1,4-BETA-XYLANASE Z) | Authors: | Schubot, F.D, Kataeva, I.A, Blum, D.L, Shah, A.K, Ljungdahl, L.G, Rose, J.P, Wang, B.-C. | Deposit date: | 2001-08-20 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the substrate specificity of the feruloyl esterase domain of the cellulosomal xylanase Z from Clostridium thermocellum. Biochemistry, 40, 2001
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2VZG
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![BU of 2vzg by Molmil](/molmil-images/mine/2vzg) | Crystal structure of the C-terminal calponin homology domain of alpha- parvin in complex with paxillin LD2 motif | Descriptor: | 1,2-ETHANEDIOL, Alpha-parvin, Paxillin, ... | Authors: | Lorenz, S, Vakonakis, I, Lowe, E.D, Campbell, I.D, Noble, M.E.M, Hoellerer, M.K. | Deposit date: | 2008-08-01 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of the interactions between paxillin LD motifs and alpha-parvin. Structure, 16, 2008
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4IHP
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![BU of 4ihp by Molmil](/molmil-images/mine/4ihp) | Crystal structure of TgCDPK1 with inhibitor bound | Descriptor: | 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | Authors: | El Bakkouri, M, Tempel, W, Crandall, I.E, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, C.K, Shokat, K.M, Sibley, L.D, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2012-12-19 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of TgCDPK1 with inhibitor bound TO BE PUBLISHED
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5D8K
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5D2M
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![BU of 5d2m by Molmil](/molmil-images/mine/5d2m) | Complex between human SUMO2-RANGAP1, UBC9 and ZNF451 | Descriptor: | 1,2-ETHANEDIOL, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | Authors: | Cappadocia, L, Lima, C.D. | Deposit date: | 2015-08-05 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for catalytic activation by the human ZNF451 SUMO E3 ligase. Nat.Struct.Mol.Biol., 22, 2015
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1JJW
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4V53
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![BU of 4v53 by Molmil](/molmil-images/mine/4v53) | Crystal structure of the bacterial ribosome from Escherichia coli in complex with gentamicin. | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, 23S rRNA, ... | Authors: | Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D. | Deposit date: | 2007-06-16 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.54 Å) | Cite: | Structural basis for aminoglycoside inhibition of bacterial ribosome recycling. Nat.Struct.Mol.Biol., 14, 2007
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5DC6
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![BU of 5dc6 by Molmil](/molmil-images/mine/5dc6) | Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate | Descriptor: | Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... | Authors: | Decroos, C, Lee, M.S, Christianson, D.W. | Deposit date: | 2015-08-23 | Release date: | 2016-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
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5UPT
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![BU of 5upt by Molmil](/molmil-images/mine/5upt) | Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand | Descriptor: | (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ... | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2017-02-03 | Release date: | 2017-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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2W04
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![BU of 2w04 by Molmil](/molmil-images/mine/2w04) | Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with citrate in ATP binding site from Pectobacterium Chrysanthemi | Descriptor: | ACSD, CITRATE ANION | Authors: | Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H. | Deposit date: | 2008-08-08 | Release date: | 2009-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis Nat.Chem.Biol., 5, 2009
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7TEW
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![BU of 7tew by Molmil](/molmil-images/mine/7tew) | Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | Deposit date: | 2022-01-06 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
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2WEG
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![BU of 2weg by Molmil](/molmil-images/mine/2weg) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | 2-fluorobenzenesulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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6W88
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![BU of 6w88 by Molmil](/molmil-images/mine/6w88) | K2P2.1 (TREK-1):ML335 complex, 30 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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7B4Q
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![BU of 7b4q by Molmil](/molmil-images/mine/7b4q) | Structure of a cold active HSL family esterase reveals mechanisms of low temperature adaptation and substrate specificity | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Rizkallah, P.J, Jones, D.D, Noby, N, Auhim, H. | Deposit date: | 2020-12-02 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure and in silico simulations of a cold-active esterase reveals its prime cold-adaptation mechanism. Open Biology, 11, 2021
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6W85
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![BU of 6w85 by Molmil](/molmil-images/mine/6w85) | K2P2.1 (TREK-1):ML335 complex, 200 mM K+ | Descriptor: | CADMIUM ION, DECANE, HEXADECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6PQB
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![BU of 6pqb by Molmil](/molmil-images/mine/6pqb) | |
7TEZ
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![BU of 7tez by Molmil](/molmil-images/mine/7tez) | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | Deposit date: | 2022-01-06 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
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5D3S
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![BU of 5d3s by Molmil](/molmil-images/mine/5d3s) | First bromodomain of BRD4 bound to inhibitor XD44 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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4RER
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![BU of 4rer by Molmil](/molmil-images/mine/4rer) | Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ... | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | Deposit date: | 2014-09-23 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.047 Å) | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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2VVE
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![BU of 2vve by Molmil](/molmil-images/mine/2vve) | Crystal structure of the stem and receptor binding domain of the spike protein P1 from bacteriophage PM2 | Descriptor: | CALCIUM ION, CHLORIDE ION, SPIKE PROTEIN P1 | Authors: | Abrescia, N.G.A, Grimes, J.M, Kivela, H.K, Assenberg, R, Sutton, G.C, Butcher, S.J, Bamford, J.K.H, Bamford, D.H, Stuart, D.I. | Deposit date: | 2008-06-06 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Insights Into Virus Evolution and Membrane Biogenesis from the Structure of the Marine Lipid-Containing Bacteriophage Pm2. Mol.Cell, 31, 2008
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5CU2
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![BU of 5cu2 by Molmil](/molmil-images/mine/5cu2) | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-24 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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