3MN6
| Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ... | Authors: | Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A. | Deposit date: | 2010-04-21 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation. Proc.Natl.Acad.Sci.USA, 107, 2010
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1A18
| PHENANTHROLINE MODIFIED MURINE ADIPOCYTE LIPID BINDING PROTEIN | Descriptor: | ADIPOCYTE LIPID BINDING PROTEIN | Authors: | Ory, J, Mazhary, A, Kuang, H, Davies, R, Distefano, M, Banaszak, L. | Deposit date: | 1997-12-23 | Release date: | 1998-07-01 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural characterization of two synthetic catalysts based on adipocyte lipid-binding protein. Protein Eng., 11, 1998
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2N9U
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1AFQ
| CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN COMPLEXED WITH A SYNTHETIC INHIBITOR | Descriptor: | BOVINE GAMMA-CHYMOTRYPSIN, D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide, SULFATE ION | Authors: | Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y. | Deposit date: | 1997-03-12 | Release date: | 1997-09-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction. Eur.J.Biochem., 255, 1998
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1AID
| STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | Deposit date: | 1997-04-16 | Release date: | 1997-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design. J.Biol.Chem., 268, 1993
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3MPT
| Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide | Authors: | Somers, D.O. | Deposit date: | 2010-04-27 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase. Bioorg.Med.Chem.Lett., 20, 2010
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3MN9
| Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ... | Authors: | Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A. | Deposit date: | 2010-04-21 | Release date: | 2010-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation. Proc.Natl.Acad.Sci.USA, 107, 2010
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1AJ9
| R-STATE HUMAN CARBONMONOXYHEMOGLOBIN ALPHA-A53S | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), ... | Authors: | Vasquez, G.B, Ji, X, Fronticelli, C, Gilliland, G.L. | Deposit date: | 1997-05-16 | Release date: | 1998-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human carboxyhemoglobin at 2.2 A resolution: structure and solvent comparisons of R-state, R2-state and T-state hemoglobins. Acta Crystallogr.,Sect.D, 54, 1998
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3MNX
| Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fourth stage of radiation damage | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | Authors: | Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A. | Deposit date: | 2010-04-22 | Release date: | 2010-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.386 Å) | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
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7ER3
| Crystal structure of beta-lactoglobulin complexed with chloroquine | Descriptor: | (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, Major allergen beta-lactoglobulin | Authors: | Yao, Q, Ma, J, Xing, Y, Zang, J. | Deposit date: | 2021-05-05 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Binding of Chloroquine to Whey Protein Relieves Its Cytotoxicity while Enhancing Its Uptake by Cells. J.Agric.Food Chem., 69, 2021
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2NND
| The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, Major urinary protein 2 | Authors: | Redondo, C, Bingham, R.J, Vouropoulou, M, Homans, S.W, Findlay, J.B. | Deposit date: | 2006-10-24 | Release date: | 2007-10-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor. Faseb J., 22, 2008
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7EUW
| X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing 4-[2-[1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl]phenoxy] (HA174) | Descriptor: | 4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid, Fatty acid-binding protein, heart, ... | Authors: | Sugiyama, S, Kakinouchi, K, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-05-19 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray structure of the human heart fatty acid-binding protein complexed with 4-[2-[1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl]phenoxy] (HA176) To Be Published
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7EW9
| GDP-bound KRAS G12D in complex with TH-Z816 | Descriptor: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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2NNP
| Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor 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, ACETIC ACID, GLYCEROL, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-24 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
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3LZS
| Crystal Structure of HIV-1 CRF01_AE Protease 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, ACETATE ION, HIV-1 protease | Authors: | Schiffer, C.A, Bandaranayake, R.M. | Deposit date: | 2010-03-01 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways. J.Virol., 84, 2010
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3M11
| Crystal Structure of Aurora A Kinase complexed with inhibitor | Descriptor: | 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Serine/threonine-protein kinase 6 | Authors: | Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y. | Deposit date: | 2010-03-03 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification J.Med.Chem., 53, 2010
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7EWB
| GDP-bound KRAS G12D in complex with TH-Z835 | Descriptor: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWA
| GDP-bound KRAS G12D in complex with TH-Z827 | Descriptor: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | Deposit date: | 2021-05-25 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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1A3N
| DEOXY HUMAN HEMOGLOBIN | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tame, J, Vallone, B. | Deposit date: | 1998-01-22 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structures of deoxy human haemoglobin and the mutant Hb Tyralpha42His at 120 K. Acta Crystallogr.,Sect.D, 56, 2000
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3M35
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3M3B
| The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Zn(II)-I107E FeBMb (Zn(II) binding to FeB site) | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION | Authors: | Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. | Deposit date: | 2010-03-08 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
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3M9K
| Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, SULFATE ION, Thioredoxin | Authors: | Weichsel, A, Montfort, W.R. | Deposit date: | 2010-03-22 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site. Protein Sci., 19, 2010
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7F9W
| CD25 in complex with Fab | Descriptor: | Heavy chain of Fab, Interleukin-2 receptor subunit alpha, Light chain of Fab | Authors: | Liu, C. | Deposit date: | 2021-07-05 | Release date: | 2022-01-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Two novel human anti-CD25 antibodies with antitumor activity inversely related to their affinity and in vitro activity. Sci Rep, 11, 2021
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1AE7
| NOTEXIN, A PRESYNAPTIC NEUROTOXIC PHOSPHOLIPASE A2 | Descriptor: | PHOSPHOLIPASE A2, SULFATE ION | Authors: | Westerlund, B, Nordlund, P, Uhlin, U, Eaker, D, Eklund, H. | Deposit date: | 1997-03-06 | Release date: | 1997-05-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The three-dimensional structure of notexin, a presynaptic neurotoxic phospholipase A2 at 2.0 A resolution. FEBS Lett., 301, 1992
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3M4V
| Crystal structure of the A330P mutant of cytochrome P450 BM3 | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z. | Deposit date: | 2010-03-12 | Release date: | 2011-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the properties of two single-site proline mutants of CYP102A1 (P450BM3) Chembiochem, 11, 2010
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