4AMZ
 
 | | PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-2 | | Descriptor: | (5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide, GLYCEROL, PROLYL ENDOPEPTIDASE | | Authors: | Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A. | | Deposit date: | 2012-03-14 | | Release date: | 2012-05-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Dynamics, Crystallography and Mutagenesis Studies on the Substrate Gating Mechanism of Prolyl Oligopeptidase.
Biochimie, 94, 2012
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2F6P
 | | BenM effector binding domain- SeMet derivative | | Descriptor: | ACETATE ION, HTH-type transcriptional regulator benM, SODIUM ION, ... | | Authors: | Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C. | | Deposit date: | 2005-11-29 | | Release date: | 2006-10-31 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
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3W77
 | | Crystal Structure of azoreductase AzrA | | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | | Authors: | Ogata, D, Yu, J, Ooi, T, Yao, M. | | Deposit date: | 2013-02-27 | | Release date: | 2014-02-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4TZW
 | | Co-crystals of the Ternary Complex Containing a T-box Stem I RNA, its Cognate tRNAGly, and B. subtilis YbxF protein, treated by removing lithium sulfate and replacing Mg2+ with Sr2+ post crystallization | | Descriptor: | Ribosome-associated protein L7Ae-like, STRONTIUM ION, T-box Stem I, ... | | Authors: | Zhang, J, Ferre-D'Amare, A.R. | | Deposit date: | 2014-07-11 | | Release date: | 2014-09-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (4.671 Å) | | Cite: | Dramatic Improvement of Crystals of Large RNAs by Cation Replacement and Dehydration.
Structure, 22, 2014
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7CQ1
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5DX5
 | | Crystal structure of methionine gamma-lyase from Clostridium sporogenes | | Descriptor: | CHLORIDE ION, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Anufrieva, N.V, Demidkina, T.V. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure of methionine gamma-lyase from Clostridium sporogenes.
Acta Crystallogr.,Sect.F, 72, 2016
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4K6G
 | | Crystal structure of CALB from Candida antarctica | | Descriptor: | 1,2-ETHANEDIOL, Lipase B | | Authors: | An, J, Xie, Y, Feng, Y, Wu, G. | | Deposit date: | 2013-04-15 | | Release date: | 2014-01-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
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4K6T
 | | Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385 | | Descriptor: | 1,2-ETHANEDIOL, 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol, ACETATE ION, ... | | Authors: | Stehle, T, Bauer, J. | | Deposit date: | 2013-04-16 | | Release date: | 2014-10-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
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6KGS
 | | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (2.309 Å) | | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
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6KGW
 | | Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with ampicillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, COBALT (II) ION, Penicillin-binding protein PbpB | | Authors: | Lu, Z.K, Zhang, A.L, Liu, X, Guddat, L, Yang, H.T, Rao, Z.H. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Structures ofMycobacterium tuberculosisPenicillin-Binding Protein 3 in Complex with Fivebeta-Lactam Antibiotics Reveal Mechanism of Inactivation.
Mol.Pharmacol., 97, 2020
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7CSW
 | | Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter | | Descriptor: | HTH cro/C1-type domain-containing protein, pa2440 | | Authors: | Song, Y.J, Luo, G.H, Bao, R. | | Deposit date: | 2020-08-17 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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7CSV
 | | Pseudomonas aeruginosa antitoxin HigA | | Descriptor: | HTH cro/C1-type domain-containing protein | | Authors: | Song, Y.J, Luo, G.H, Bao, R. | | Deposit date: | 2020-08-17 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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7DR4
 | | Complex of anti-human IL-2 antibody and human IL-2 | | Descriptor: | Interleukin-2, anti-human IL-2 antibody, mouse Ig G, ... | | Authors: | Kim, M.S, Kim, J.E. | | Deposit date: | 2020-12-25 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of human interleukin-2 in complex with TCB2, a new antibody-drug candidate with antitumor activity.
Oncoimmunology, 10, 2021
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7C3N
 | | Crystal structure of JAK3 in complex with Delgocitinib | | Descriptor: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | | Authors: | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | | Deposit date: | 2020-05-13 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
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4KZ0
 | | Structure of PI3K gamma with Imidazopyridine inhibitors | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2013-05-29 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
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4KZC
 | | Structure of PI3K gamma with Imidazopyridine inhibitors | | Descriptor: | N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Knapp, M.S, Elling, E.A. | | Deposit date: | 2013-05-29 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.
Bioorg.Med.Chem.Lett., 23, 2013
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7DT2
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7DJR
 | | Crystal structure of SARS-CoV-2 main protease (no ligand) | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Deetanya, P, Wangkanont, K. | | Deposit date: | 2020-11-21 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Interaction of 8-anilinonaphthalene-1-sulfonate with SARS-CoV-2 main protease and its application as a fluorescent probe for inhibitor identification.
Comput Struct Biotechnol J, 19, 2021
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7CMM
 | | Crystal structure of TEAD1-YBD in complex with K-975 | | Descriptor: | N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide, Transcriptional enhancer factor TEF-1 | | Authors: | Tsuji, Y, Suzuki, M, Yasunaga, M, Hamguchi, K, Saito, J. | | Deposit date: | 2020-07-28 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The novel potent TEAD inhibitor, K-975, inhibits YAP1/TAZ-TEAD protein-protein interactions and exerts an anti-tumor effect on malignant pleural mesothelioma.
Am J Cancer Res, 10, 2020
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7CCS
 | | Consensus mutated xCT-CD98hc complex | | Descriptor: | 4F2 cell-surface antigen heavy chain, Consensus mutated Anionic Amino Acid Transporter Light Chain, Xc- System | | Authors: | Oda, K, Lee, Y, Takemoto, M, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2020-06-17 | | Release date: | 2020-12-09 | | Last modified: | 2020-12-16 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Consensus mutagenesis approach improves the thermal stability of system x c - transporter, xCT, and enables cryo-EM analyses.
Protein Sci., 29, 2020
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7D24
 | | Hsp90 alpha N-terminal domain in complex with a 4B compund | | Descriptor: | 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Shin, S.C, Kim, E.E. | | Deposit date: | 2020-09-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
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7D26
 | | Hsp90 alpha N-terminal domain in complex with a 8 compund | | Descriptor: | 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Shin, S.C, Kim, E.E. | | Deposit date: | 2020-09-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
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7D22
 | | Hsp90 alpha N-terminal domain in complex with a 6B compund | | Descriptor: | 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Shin, S.C, Kim, E.E. | | Deposit date: | 2020-09-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
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7D25
 | | Hsp90 alpha N-terminal domain in complex with a 14 compund | | Descriptor: | 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Shin, S.C, Kim, E.E. | | Deposit date: | 2020-09-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
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7D1V
 | | Hsp90 alpha N-terminal domain in complex with a 6C compund | | Descriptor: | 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine, Heat shock protein HSP 90-alpha | | Authors: | Shin, S.C, Kim, E.E. | | Deposit date: | 2020-09-15 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.332 Å) | | Cite: | Structural Basis for Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of Hsp90.
Int J Mol Sci, 21, 2020
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