8HPU
 
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8HQ7
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8HPF
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4FWX
 | | Aquoferric F33Y CuB myoglobin (F33Y L29H F43H sperm whale myoglobin) | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gao, Y.-G, Stoner-Ma, D, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y. | | Deposit date: | 2012-07-02 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4FWZ
 | | Aquoferric CuB myoglobin (L29H F43H sperm whale myoglobin) | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gao, Y.-G, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y. | | Deposit date: | 2012-07-02 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4P0N
 | | Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor | | Descriptor: | GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ... | | Authors: | Chmait, S. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
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4FWY
 | | F33Y CuB myoglobin (F33Y L29H F43H sperm whale myoglobin) with copper bound | | Descriptor: | COPPER (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gao, Y.-G, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y. | | Deposit date: | 2012-07-02 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4HEU
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4P1R
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4HF4
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4H1J
 | | Crystal structure of PYK2 with the pyrazole 13a | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta | | Authors: | Han, S. | | Deposit date: | 2012-09-10 | | Release date: | 2012-11-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4H1M
 | | Crystal structure of PYK2 with the indole 10c | | Descriptor: | 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta | | Authors: | Han, S. | | Deposit date: | 2012-09-10 | | Release date: | 2012-11-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4TPP
 | | 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors | | Descriptor: | 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ... | | Authors: | Chmait, S. | | Deposit date: | 2014-06-09 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
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4TPM
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4PHW
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4HVA
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7S2R
 | | nanobody bound to IL-2Rg | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ... | | Authors: | Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C. | | Deposit date: | 2021-09-03 | | Release date: | 2022-03-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
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7S2S
 | | nanobody bound to Interleukin-2Rbeta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IL2Rb-binding nanobody, Interleukin-2 receptor subunit beta, ... | | Authors: | Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C. | | Deposit date: | 2021-09-03 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Facile discovery of surrogate cytokine agonists.
Cell, 185, 2022
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1U6Q
 | | Substituted 2-Naphthamadine inhibitors of Urokinase | | Descriptor: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator | | Authors: | Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L. | | Deposit date: | 2004-07-30 | | Release date: | 2004-10-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
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6YE1
 | | Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV) | | Descriptor: | 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid | | Authors: | Scaletti, E, Strater, N. | | Deposit date: | 2020-03-23 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
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6EAY
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2OJU
 | | X-ray structure of complex of human cyclophilin J with cyclosporin A | | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3 | | Authors: | Xia, Z, Huang, L. | | Deposit date: | 2007-01-14 | | Release date: | 2008-01-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
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2OK3
 | | X-ray structure of human cyclophilin J at 2.0 angstrom | | Descriptor: | NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3 | | Authors: | Xia, Z. | | Deposit date: | 2007-01-15 | | Release date: | 2008-01-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
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2GER
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2GR9
 | | Crystal structure of P5CR complexed with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, Pyrroline-5-carboxylate reductase 1 | | Authors: | Meng, Z, Lou, Z, Liu, Z, Rao, Z. | | Deposit date: | 2006-04-23 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of human pyrroline-5-carboxylate reductase
J.Mol.Biol., 359, 2006
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