6XA3
| Structure of the ligand free P450 monooxygenase TamI | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TamI | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-03 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
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6XCZ
| Porcine pepsin in complex with saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Pepsin A | Authors: | Vuksanovic, N, Silvaggi, N.R. | Deposit date: | 2020-06-09 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Porcine pepsin in complex with saquinavir To Be Published
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8IZK
| Crystal structure of trypsin-guanidine complex at 2.05 Angstroms resolution | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | Authors: | Ahmad, M.S, Kalam, N, Akbar, Z, Rasheed, S, Choudhary, M.I. | Deposit date: | 2023-04-07 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the binding of famotidine, cimetidine, guanidine, and pimagedine with serine protease. Biochem.Biophys.Res.Commun., 733, 2024
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6XCY
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6XD2
| Porcine pepsin in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Pepsin A | Authors: | Vuksanovic, N, Silvaggi, N.R. | Deposit date: | 2020-06-09 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Porcine pepsin in complex with darunavir To Be Published
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8DN1
| Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V at pH 7.2 | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, GLYCEROL, ... | Authors: | Bingham, C.R, Borhan, B, Geiger, J.H. | Deposit date: | 2022-07-10 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins. Analyst, 148, 2023
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8DPX
| Preligand association structure of DR5 | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | Authors: | Du, G, Zhao, L, Chou, J.J. | Deposit date: | 2022-07-17 | Release date: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation. Cell Res., 33, 2023
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5XW9
| Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 7 | Descriptor: | Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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6LNM
| Crystal structure of CASK-CaMK in complex with Mint1-CID | Descriptor: | Amyloid-beta A4 precursor protein-binding family A member 1, Peripheral plasma membrane protein CASK | Authors: | Cai, Q, Zhang, M. | Deposit date: | 2019-12-31 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the High-Affinity Interaction between CASK and Mint1. Structure, 28, 2020
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6ISE
| Crystal structure of AMPPNP bound CK2 alpha from C. neoformans | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Cho, H.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of AMPPNP bound CK2 alpha from C. neoformans To be published
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8JOH
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5XVA
| Crystal Structure of PAK4 in complex with inhibitor CZH216 | Descriptor: | ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | Authors: | Zhao, F, Li, H. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.847 Å) | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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5XX5
| A BPTI-[5,55] variant with C14GA38I mutations | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Islam, M.M. | Deposit date: | 2017-07-01 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Hydrophobic surface residues can stabilize a protein through improved water-protein interactions. Febs J., 2019
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5XVG
| Crystal Structure of PAK4 in complex with inhibitor CZH226 | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | Authors: | Zhao, F, Li, H. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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8E80
| Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14 | Descriptor: | 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2022-08-25 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease. J.Med.Chem., 65, 2022
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8E81
| Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25 | Descriptor: | (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Palte, R.L. | Deposit date: | 2022-08-25 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease. J.Med.Chem., 65, 2022
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5XWA
| Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 10 | Descriptor: | Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin | Authors: | Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. | Deposit date: | 2017-06-29 | Release date: | 2018-03-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
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6XVU
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5XX2
| A BPTI-[5,55] variant with C14GA38L mutations | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Islam, M.M. | Deposit date: | 2017-07-01 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Hydrophobic surface residues can stabilize a protein through improved water-protein interactions. Febs J., 2019
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5X2S
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5XX4
| A BPTI-[5,55] variant with C14GA38K mutations | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Islam, M.M. | Deposit date: | 2017-07-01 | Release date: | 2018-07-04 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Hydrophobic surface residues can stabilize a protein through improved water-protein interactions. Febs J., 2019
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6M2L
| Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361 | Descriptor: | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1 | Authors: | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | Deposit date: | 2020-02-27 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum. Cell, 183, 2020
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8E3G
| BMP2/GDF5 heterodimer | Descriptor: | Bone morphogenetic protein 2, GLYCEROL, Growth/differentiation factor 5 | Authors: | Gipson, G.R, Nolan, K.T, Thompson, T.B. | Deposit date: | 2022-08-17 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Formation and characterization of BMP2/GDF5 and BMP4/GDF5 heterodimers. Bmc Biol., 21, 2023
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8JUP
| Crystal structure of a receptor like kinase from rice | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, LRR receptor-like serine/threonine-protein kinase FLS2, MAGNESIUM ION | Authors: | Ming, Z, Zhao, Q. | Deposit date: | 2023-06-27 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | An Active State Formation Mechanism of Receptor Kinase in Plant Plant Commun., 2024
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6IHX
| Crystal Structure Analysis of bovine Hemoglobin modified by SNP | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T. | Deposit date: | 2018-10-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster. J Phys Chem B, 122, 2018
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