6T8W
 
 | | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6N9T
 | | Structure of a peptide-based photo-affinity cross-linker with Herceptin Fc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin G1 FC, ... | | Authors: | Sadowsky, J, Ultsch, M, Vance, N, Wang, W. | | Deposit date: | 2018-12-04 | | Release date: | 2019-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.576 Å) | | Cite: | Development, Optimization, and Structural Characterization of an Efficient Peptide-Based Photoaffinity Cross-Linking Reaction for Generation of Homogeneous Conjugates from Wild-Type Antibodies.
Bioconjug. Chem., 30, 2019
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1A1P
 | | COMPSTATIN, NMR, 21 STRUCTURES | | Descriptor: | COMPSTATIN | | Authors: | Morikis, D, Assa-Munt, N, Sahu, A, Lambris, J.D. | | Deposit date: | 1997-12-12 | | Release date: | 1998-04-08 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Compstatin, a potent complement inhibitor.
Protein Sci., 7, 1998
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1JGN
 | | Solution structure of the C-terminal PABC domain of human poly(A)-binding protein in complex with the peptide from Paip2 | | Descriptor: | polyadenylate-binding protein 1, polyadenylate-binding protein-interacting protein 2 | | Authors: | Kozlov, G, Siddiqui, N, Coillet-Matillon, S, Ekiel, I, Gehring, K. | | Deposit date: | 2001-06-26 | | Release date: | 2003-06-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis of ligand recognition by PABC, a highly specific peptide-binding domain found in poly(A)-binding protein and a HECT ubiquitin ligase
EMBO J., 23, 2004
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5LGA
 | | Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D | | Descriptor: | (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC-2, Vitamin D3 receptor A | | Authors: | Belorusova, A.Y, Rochel, N. | | Deposit date: | 2016-07-06 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis and biological activities of BXL0124, a gemini analog of vitamin D.
J. Steroid Biochem. Mol. Biol., 173, 2017
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1PMY
 | | REFINED CRYSTAL STRUCTURE OF PSEUDOAZURIN FROM METHYLOBACTERIUM EXTORQUENS AM1 AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | | Authors: | Inoue, T, Kai, Y, Harada, S, Kasai, N, Ohshiro, Y, Suzuki, S, Kohzuma, T, Tobari, J. | | Deposit date: | 1994-01-28 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Refined crystal structure of pseudoazurin from Methylobacterium extorquens AM1 at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
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1A0A
 | | PHOSPHATE SYSTEM POSITIVE REGULATORY PROTEIN PHO4/DNA COMPLEX | | Descriptor: | DNA (5'-D(*CP*TP*AP*GP*TP*CP*CP*CP*AP*CP*GP*TP*GP*TP*GP*AP*G )-3'), DNA (5'-D(*CP*TP*CP*AP*CP*AP*CP*GP*TP*GP*GP*GP*AP*CP*TP*AP*G )-3'), PROTEIN (PHOSPHATE SYSTEM POSITIVE REGULATORY PROTEIN PHO4) | | Authors: | Shimizu, T, Toumoto, A, Ihara, K, Shimizu, M, Kyogoku, Y, Ogawa, N, Oshima, Y, Hakoshima, T. | | Deposit date: | 1997-11-27 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of PHO4 bHLH domain-DNA complex: flanking base recognition.
EMBO J., 16, 1997
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5EI0
 | | Structure of RCL-cleaved vaspin (serpinA12) | | Descriptor: | Serpin A12 | | Authors: | Pippel, J, Kuettner, B.E, Ulbricht, D, Daberger, J, Schultz, S, Heiker, J.T, Strater, N. | | Deposit date: | 2015-10-29 | | Release date: | 2015-11-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of cleaved vaspin (serpinA12).
Biol.Chem., 397, 2016
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6BRP
 | | F-box protein form 2 | | Descriptor: | F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A | | Authors: | Shabek, N, Zheng, N, Mao, H, Hinds, T.R, Ticchiarelli, F, Leyser, O. | | Deposit date: | 2017-11-30 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural plasticity of D3-D14 ubiquitin ligase in strigolactone signalling.
Nature, 563, 2018
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1A4V
 | | ALPHA-LACTALBUMIN | | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | | Authors: | Chandra, N, Acharya, K.R. | | Deposit date: | 1998-02-05 | | Release date: | 1999-04-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural evidence for the presence of a secondary calcium binding site in human alpha-lactalbumin.
Biochemistry, 37, 1998
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2OC7
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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1HP1
 | | 5'-NUCLEOTIDASE (OPEN FORM) COMPLEX WITH ATP | | Descriptor: | 5'-NUCLEOTIDASE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ... | | Authors: | Knoefel, T, Straeter, N. | | Deposit date: | 2000-12-12 | | Release date: | 2002-03-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
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6Q74
 | | PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide | | Authors: | Convery, M.A, Rowland, P, Down, K, Barton, N. | | Deposit date: | 2018-12-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
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1C3Q
 | | CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM | | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, CHLORIDE ION, Hydroxyethylthiazole kinase | | Authors: | Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E. | | Deposit date: | 1999-07-28 | | Release date: | 1999-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
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1BKE
 | | HUMAN SERUM ALBUMIN IN A COMPLEX WITH MYRISTIC ACID AND TRI-IODOBENZOIC ACID | | Descriptor: | 2,3,5-TRIIODOBENZOIC ACID, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Curry, S, Mandelkow, H, Brick, P, Franks, N. | | Deposit date: | 1998-07-06 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of human serum albumin complexed with fatty acid reveals an asymmetric distribution of binding sites.
Nat.Struct.Biol., 5, 1998
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1BZE
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1C0F
 | | CRYSTAL STRUCTURE OF DICTYOSTELIUM CAATP-ACTIN IN COMPLEX WITH GELSOLIN SEGMENT 1 | | Descriptor: | ACTIN, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Matsuura, Y, Stewart, M, Kawamoto, M, Kamiya, N, Saeki, K, Yasunaga, T, Wakabayashi, T. | | Deposit date: | 1999-07-16 | | Release date: | 2000-03-01 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the higher Ca(2+)-activation of the regulated actin-activated myosin ATPase observed with Dictyostelium/Tetrahymena actin chimeras
J.Mol.Biol., 296, 2000
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6BRQ
 | | Crystal structure of rice ASK1-D3 ubiquitin ligase complex crystal form 3 | | Descriptor: | F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A | | Authors: | Shabek, N, Zheng, N, Mao, H, Hinds, T.R, Ticchiarelli, F, Leyser, O. | | Deposit date: | 2017-11-30 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural plasticity of D3-D14 ubiquitin ligase in strigolactone signalling.
Nature, 563, 2018
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6Q6Y
 | | PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide | | Authors: | Convery, M.A, Rowland, P, Down, K, Barton, N. | | Deposit date: | 2018-12-12 | | Release date: | 2018-12-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61, 2018
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5LS6
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
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1BWV
 | | Activated Ribulose 1,5-Bisphosphate Carboxylase/Oxygenase (RUBISCO) Complexed with the Reaction Intermediate Analogue 2-Carboxyarabinitol 1,5-Bisphosphate | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (RIBULOSE BISPHOSPHATE CARBOXYLASE) | | Authors: | Sugawara, H, Yamamoto, H, Shibata, N, Inoue, T, Miyake, C, Yokota, A, Kai, Y. | | Deposit date: | 1998-09-29 | | Release date: | 1999-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of carboxylase reaction-oriented ribulose 1, 5-bisphosphate carboxylase/oxygenase from a thermophilic red alga, Galdieria partita.
J.Biol.Chem., 274, 1999
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1C4X
 | | 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE (BPHD) FROM RHODOCOCCUS SP. STRAIN RHA1 | | Descriptor: | PROTEIN (2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE) | | Authors: | Nandhagopal, N, Senda, T, Mitsui, Y. | | Deposit date: | 1999-09-30 | | Release date: | 1999-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Three-Dimensional Structure of Microbial 2-Hydroxyl-6-Oxo-6-Phenylhexa-2,4- Dienoic Acid (Hpda) Hydrolase (Bphd Enzyme) from Rhodococcus Sp. Strain Rha1, in the Pcb Degradation Pathway
Proc.Jpn.Acad.,Ser.B, 73, 1997
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6BRT
 | | F-box protein CTH with hydrolase | | Descriptor: | (5R)-5-hydroxy-3-methylfuran-2(5H)-one, D3-CTH-D14-D-ring | | Authors: | Shabek, N, Zheng, N, Mao, H, Hinds, T.R, Ticchiarelli, F, Leyser, O. | | Deposit date: | 2017-12-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Structural plasticity of D3-D14 ubiquitin ligase in strigolactone signalling.
Nature, 563, 2018
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1A0O
 | | CHEY-BINDING DOMAIN OF CHEA IN COMPLEX WITH CHEY | | Descriptor: | CHEA, CHEY, MANGANESE (II) ION | | Authors: | Chinardet, N, Welch, M, Mourey, L, Birck, C, Samama, J.P. | | Deposit date: | 1997-12-05 | | Release date: | 1998-12-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of the CheY-binding domain of histidine kinase CheA in complex with CheY.
Nat.Struct.Biol., 5, 1998
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7BPN
 | | Solution NMR structure of NF7; de novo designed protein with a novel fold | | Descriptor: | NF7 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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