1BJJ
| AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS | Descriptor: | AGKISTRODOTOXIN, CALCIUM ION | Authors: | Tang, L, Zhou, Y, Lin, Z. | Deposit date: | 1998-06-25 | Release date: | 1999-07-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit. Acta Crystallogr.,Sect.D, 55, 1999
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3DA6
| Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | Deposit date: | 2008-05-28 | Release date: | 2009-01-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase Bioorg.Med.Chem.Lett., 19, 2009
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3EFW
| Structure of AuroraA with pyridyl-pyrimidine urea inhibitor | Descriptor: | 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6 | Authors: | Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D. | Deposit date: | 2008-09-10 | Release date: | 2008-12-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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5JIE
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8U7X
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8U7W
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7X8X
| structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease | Descriptor: | 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ... | Authors: | Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z. | Deposit date: | 2022-03-15 | Release date: | 2023-04-12 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors J.Med.Chem., 66, 2023
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7KLZ
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7JKB
| 2xVH Fab | Descriptor: | Anti-Her2, Anti-lysozyme | Authors: | Lord, D.M, Zhou, Y.F. | Deposit date: | 2020-07-28 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Bringing the Heavy Chain to Light: Creating a Symmetric, Bivalent IgG-Like Bispecific. Antibodies, 9, 2020
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5IMX
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3ATM
| Crystal structure of trypsin complexed with 2-(1H-indol-3-yl)ethanamine | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATK
| Crystal structure of trypsin complexed with cycloheptanamine | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATI
| Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3ATL
| Crystal structure of trypsin complexed with benzamidine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Tanaka, I. | Deposit date: | 2011-01-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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6KKK
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6KKJ
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1BSJ
| COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | Descriptor: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, COBALT (II) ION, PHOSPHATE ION, ... | Authors: | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | Deposit date: | 1998-08-28 | Release date: | 2000-04-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the design of antibiotics targeting peptide deformylase. Biochemistry, 38, 1999
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1BSK
| ZINC DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | Descriptor: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, PHOSPHATE ION, PROTEIN (PEPTIDE DEFORMYLASE), ... | Authors: | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | Deposit date: | 1998-08-28 | Release date: | 2000-04-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for the design of antibiotics targeting peptide deformylase. Biochemistry, 38, 1999
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5ZXL
| Structure of GldA from E.coli | Descriptor: | CHLORIDE ION, GLYCEROL, Glycerol dehydrogenase, ... | Authors: | Zhang, J, Lin, L. | Deposit date: | 2018-05-21 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Structure of glycerol dehydrogenase (GldA) from Escherichia coli. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6A1V
| Charcot-Leyden crystal protein/Galectin-10 variant E33Q | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6A1S
| Charcot-Leyden crystal protein/Galectin-10 variant E33A | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6A63
| Placental protein 13/galectin-13 variant R53HH57R with Lactose | Descriptor: | Galactoside-binding soluble lectin 13, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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6A66
| Placental protein 13/galectin-13 variant R53H with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galactoside-binding soluble lectin 13 | Authors: | Su, J.Y. | Deposit date: | 2018-06-26 | Release date: | 2018-12-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose Biosci. Rep., 38, 2018
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6A1X
| Charcot-Leyden crystal protein/Galectin-10 variant W127A | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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8K4F
| DHODH in complex with compound A0 | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | Authors: | Jian, L, Sun, Q. | Deposit date: | 2023-07-18 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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