8E3S
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1YSI
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![BU of 1ysi by Molmil](/molmil-images/mine/1ysi) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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1YTU
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![BU of 1ytu by Molmil](/molmil-images/mine/1ytu) | Structural basis for 5'-end-specific recognition of the guide RNA strand by the A. fulgidus PIWI protein | Descriptor: | 5'-R(P*AP*GP*AP*CP*AP*G)-3', 5'-R(P*UP*GP*UP*C)-3', MAGNESIUM ION, ... | Authors: | Ma, J.B, Yuan, Y.R, Meister, G, Pei, Y, Tuschl, T, Patel, D.J. | Deposit date: | 2005-02-11 | Release date: | 2005-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for 5'-end-specific recognition of guide RNA by the A. fulgidus Piwi protein. Nature, 434, 2005
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5KRH
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![BU of 5krh by Molmil](/molmil-images/mine/5krh) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16-benzylidene estrone | Descriptor: | (8~{R},9~{S},13~{S},14~{S},16~{E})-13-methyl-3-oxidanyl-16-(phenylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[ a]phenanthren-17-one, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.243 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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1YT9
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![BU of 1yt9 by Molmil](/molmil-images/mine/1yt9) | HIV Protease with oximinoarylsulfonamide bound | Descriptor: | (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE, Pol polyprotein | Authors: | Yeung, C.M, Klein, L.L, Flentge, C.A, Randolph, J.T, Zhao, C, Sun, M, Dekhtyar, T, Stoll, V.S, Kempf, D.J. | Deposit date: | 2005-02-10 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Oximinoarylsulfonamides as potent HIV protease inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
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5KWO
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1YSX
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![BU of 1ysx by Molmil](/molmil-images/mine/1ysx) | Solution structure of domain 3 from human serum albumin complexed to an anti-apoptotic ligand directed against Bcl-xL and Bcl-2 | Descriptor: | 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE, Serum albumin | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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5IW4
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1OEP
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![BU of 1oep by Molmil](/molmil-images/mine/1oep) | Structure of Trypanosoma brucei enolase reveals the inhibitory divalent metal site | Descriptor: | 1,2-ETHANEDIOL, ENOLASE, SULFATE ION, ... | Authors: | Da Silva giotto, M.T, Navarro, M.V.A.S, Garratt, R.C, Rigden, D.J. | Deposit date: | 2003-03-28 | Release date: | 2003-04-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of Trypanosoma Brucei Enolase: Visualisation of the Inhibitory Metal Binding Site III and Potential as Target for Selective, Irreversible Inhibition J.Mol.Biol., 331, 2003
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5IXA
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2NOS
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![BU of 2nos by Molmil](/molmil-images/mine/2nos) | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), AMINOGUANIDINE COMPLEX | Descriptor: | AMINOGUANIDINE, IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, ... | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | Deposit date: | 1997-09-28 | Release date: | 1998-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of nitric oxide synthase oxygenase domain and inhibitor complexes. Science, 278, 1997
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8DUK
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![BU of 8duk by Molmil](/molmil-images/mine/8duk) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-(methylamino)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W. | Deposit date: | 2022-07-27 | Release date: | 2023-07-05 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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1LJW
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![BU of 1ljw by Molmil](/molmil-images/mine/1ljw) | Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition | Descriptor: | CARBON MONOXIDE, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Safo, M.K, Burnett, J.C, Musayev, F.N, Nokuri, S, Abraham, D.J. | Deposit date: | 2002-04-22 | Release date: | 2002-05-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of human carbonmonoxyhemoglobin at 2.16 A: a snapshot of the allosteric transition. Acta Crystallogr.,Sect.D, 58, 2002
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5VW1
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![BU of 5vw1 by Molmil](/molmil-images/mine/5vw1) | Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, H, Patel, D.J. | Deposit date: | 2017-05-21 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Inhibition Mechanism of an Anti-CRISPR Suppressor AcrIIA4 Targeting SpyCas9. Mol. Cell, 67, 2017
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1L5R
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![BU of 1l5r by Molmil](/molmil-images/mine/1l5r) | Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | Deposit date: | 2002-03-07 | Release date: | 2002-12-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
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2C1Z
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![BU of 2c1z by Molmil](/molmil-images/mine/2c1z) | Structure and activity of a flavonoid 3-O glucosyltransferase reveals the basis for plant natural product modification | Descriptor: | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, UDP-GLUCOSE FLAVONOID 3-O GLYCOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Offen, W, Martinez-Fleites, C, Kiat-Lim, E, Yang, M, Davis, B.G, Tarling, C.A, Ford, C.M, Bowles, D.J, Davies, G.J. | Deposit date: | 2005-09-22 | Release date: | 2006-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Flavonoid Glucosyltransferase Reveals the Basis for Plant Natural Product Modification. Embo J., 25, 2006
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1YP8
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1YP6
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![BU of 1yp6 by Molmil](/molmil-images/mine/1yp6) | Van der Waals Interactions Dominate Hydrophobic Association in a Protein Binding Site Occluded From Solvent Water | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, CHLORIDE ION, ... | Authors: | Barratt, E, Bingham, R.J, Warner, D.J, Laughton, C.A, Phillips, S.E.V, Homans, S.W. | Deposit date: | 2005-01-30 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water J.Am.Chem.Soc., 127, 2005
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5KRI
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![BU of 5kri by Molmil](/molmil-images/mine/5kri) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol | Descriptor: | (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.247 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5KU2
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![BU of 5ku2 by Molmil](/molmil-images/mine/5ku2) | expanded poliovirus in complex with VHH 7A | Descriptor: | VHH 7A, VP1, VP2, ... | Authors: | Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State. J. Virol., 91, 2017
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5KX2
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1YSN
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![BU of 1ysn by Molmil](/molmil-images/mine/1ysn) | Solution structure of the anti-apoptotic protein Bcl-xL complexed with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2023-11-29 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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1L5S
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![BU of 1l5s by Molmil](/molmil-images/mine/1l5s) | Human liver glycogen phosphorylase complexed with uric acid, N-Acetyl-beta-D-glucopyranosylamine, and CP-403,700 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Glycogen phosphorylase, liver form, ... | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | Deposit date: | 2002-03-07 | Release date: | 2002-12-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
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1Z2X
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![BU of 1z2x by Molmil](/molmil-images/mine/1z2x) | Crystal structure of mouse Vps29 | Descriptor: | Vacuolar protein sorting 29 | Authors: | Collins, B.M, Skinner, C.F, Watson, P.J, Seaman, M.N.J, Owen, D.J. | Deposit date: | 2005-03-10 | Release date: | 2005-06-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Vps29 has a phosphoesterase fold that acts as a protein interaction scaffold for retromer assembly NAT.STRUCT.MOL.BIOL., 12, 2005
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1MII
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![BU of 1mii by Molmil](/molmil-images/mine/1mii) | SOLUTION STRUCTURE OF ALPHA-CONOTOXIN MII | Descriptor: | PROTEIN (ALPHA CONOTOXIN MII) | Authors: | Hill, J.M, Oomen, C.J, Miranda, L.P, Bingham, J.P, Alewood, P.F, Craik, D.J. | Deposit date: | 1998-10-05 | Release date: | 1998-10-21 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of alpha-conotoxin MII by NMR spectroscopy: effects of solution environment on helicity. Biochemistry, 37, 1998
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