7KWM
| CtBP1 (28-375) L182F/V185T - AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION | Authors: | Royer, W.E, Del Campo, M. | Deposit date: | 2020-12-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP). J.Biol.Chem., 296, 2021
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1HBS
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4HBI
| SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-24 | Release date: | 1998-11-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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4YDG
| Crystal structure of compound 10 in complex with HTLV-1 Protease | Descriptor: | HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION | Authors: | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | Deposit date: | 2015-02-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. J.Med.Chem., 58, 2015
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4YDF
| Crystal structure of compound 9 in complex with HTLV-1 Protease | Descriptor: | HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION | Authors: | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | Deposit date: | 2015-02-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. J.Med.Chem., 58, 2015
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4QB4
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6E0I
| Crystal structure of Glucokinase in complex with compound 72 | Descriptor: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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6E0E
| Crystal structure of Glucokinase in complex with compound 6 | Descriptor: | 2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile, Glucokinase, alpha-D-glucopyranose | Authors: | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | Deposit date: | 2018-07-06 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg.Med.Chem., 28, 2020
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2HBS
| THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S | Descriptor: | HEMOGLOBIN S (DEOXY), ALPHA CHAIN, BETA CHAIN, ... | Authors: | Harrington, D.J, Adachi, K, Royer Junior, W.E. | Deposit date: | 1997-05-06 | Release date: | 1997-07-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The high resolution crystal structure of deoxyhemoglobin S. J.Mol.Biol., 272, 1997
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5W87
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8R10
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8R18
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8R1T
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8R1N
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8R1P
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6BQG
| Crystal structure of 5-HT2C in complex with ergotamine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | Deposit date: | 2017-11-27 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell, 172, 2018
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6BQH
| Crystal structure of 5-HT2C in complex with ritanserin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ... | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | Deposit date: | 2017-11-27 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology. Cell, 172, 2018
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3O8Y
| Stable-5-Lipoxygenase | Descriptor: | Arachidonate 5-lipoxygenase, FE (II) ION | Authors: | Newcomer, M.E, Gilbert, N.C, Bartlett, S.G, Waight, M.T, Neau, D.B, Boeglin, W.E, Brash, A.R. | Deposit date: | 2010-08-03 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.389 Å) | Cite: | The structure of human 5-lipoxygenase. Science, 331, 2011
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2JV7
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2N9C
| NRAS Isoform 5 | Descriptor: | GTPase NRas | Authors: | Markowitz, J, Mal, T.K, Yuan, C, Courtney, N.B, Patel, M, Stiff, A.R, Blachly, J, Walker, C, Eisfeld, A, de la Chapelle, A, Carson III, W.E. | Deposit date: | 2015-11-13 | Release date: | 2016-03-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural characterization of NRAS isoform 5. Protein Sci., 25, 2016
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1DPJ
| THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, ... | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-27 | Release date: | 2000-05-03 | Last modified: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1DP5
| THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR | Descriptor: | PROTEINASE A, PROTEINASE INHIBITOR IA3, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-23 | Release date: | 2000-05-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1DUZ
| HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN COMPLEX WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN | Descriptor: | BETA-2 MICROGLOBULIN, HLA-A*0201, HTLV-1 OCTAMERIC TAX PEPTIDE | Authors: | Khan, A.R, Baker, B.M, Ghosh, P, Biddison, W.E, Wiley, D.C. | Deposit date: | 2000-01-19 | Release date: | 2000-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure and stability of an HLA-A*0201/octameric tax peptide complex with an empty conserved peptide-N-terminal binding site. J.Immunol., 164, 2000
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1DUY
| CRYSTAL STRUCTURE OF HLA-A*0201/OCTAMERIC TAX PEPTIDE COMPLEX | Descriptor: | BETA-2 MICROGLOBULIN, HLA-A2*0201, HTLV-1 OCTAMERIC TAX PEPTIDE | Authors: | Khan, A.R, Baker, B.M, Ghosh, P, Biddison, W.E, Wiley, D.C. | Deposit date: | 2000-01-19 | Release date: | 2000-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The structure and stability of an HLA-A*0201/octameric tax peptide complex with an empty conserved peptide-N-terminal binding site. J.Immunol., 164, 2000
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1EY6
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