7Y48
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5Z3W
| Malate dehydrogenase binds silver at C113 | Descriptor: | Malate dehydrogenase, SILVER ION | Authors: | Wang, H, Wang, M, Sun, H. | Deposit date: | 2018-01-09 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm Chem Sci, 2020
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4R82
| Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-08-29 | Release date: | 2014-10-01 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus. Biochemistry, 55, 2016
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2A4R
| HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | Descriptor: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | Authors: | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | Deposit date: | 2005-06-29 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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2A4Q
| HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | Deposit date: | 2005-06-29 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease Bioorg.Med.Chem.Lett., 15, 2005
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6OT9
| Bimetallic dodecameric cage design 1 (BMC1) from cytochrome cb562 | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | Authors: | Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A. | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Constructing protein polyhedra via orthogonal chemical interactions. Nature, 578, 2020
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6OT4
| Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562 | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | Authors: | Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A. | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Constructing protein polyhedra via orthogonal chemical interactions. Nature, 578, 2020
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6OT7
| Bimetallic dodecameric cage design 3 (BMC3) from cytochrome cb562 | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | Authors: | Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A. | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Constructing protein polyhedra via orthogonal chemical interactions. Nature, 578, 2020
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6OT8
| Bimetallic hexameric cage design 4 (BMC4) from cytochrome cb562 | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | Authors: | Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A. | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Constructing protein polyhedra via orthogonal chemical interactions. Nature, 578, 2020
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4UEI
| Solution structure of the sterol carrier protein domain 2 of Helicoverpa armigera | Descriptor: | STEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE | Authors: | Liu, X, Ma, H, Yan, X, Hong, H, Peng, J, Peng, R. | Deposit date: | 2014-12-18 | Release date: | 2015-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure and Function of Helicoverpa Armigera Sterol Carrier Protein-2, an Important Insecticidal Target from the Cotton Bollworm. Sci.Rep., 5, 2015
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3SIE
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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7C2K
| COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | Deposit date: | 2020-05-07 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
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8IKH
| Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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8IKG
| Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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7EQ1
| GPR114-Gs-scFv16 complex | Descriptor: | Adhesion G-protein coupled receptor G5, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Ping, Y. | Deposit date: | 2021-04-28 | Release date: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the tethered peptide activation of adhesion GPCRs. Nature, 604, 2022
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7CRZ
| Crystal structure of human glucose transporter GLUT3 bound with C3361 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ... | Authors: | Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N. | Deposit date: | 2020-08-14 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents. Proc.Natl.Acad.Sci.USA, 118, 2021
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3SHZ
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3SHY
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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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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8IK3
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8IK0
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7BZF
| COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ... | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | Deposit date: | 2020-04-27 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
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4FZ4
| Crystal structure of HP0197-18kd | Descriptor: | CHLORIDE ION, NITRATE ION, Uncharacterized protein conserved in bacteria | Authors: | Yuan, Z, Yan, X. | Deposit date: | 2012-07-06 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Molecular mechanism by which surface antigen HP0197 mediates host cell attachment in the pathogenic bacteria Streptococcus suis J.Biol.Chem., 288, 2013
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4FZQ
| Crystal structure of HP0197-G5 | Descriptor: | Uncharacterized protein conserved in bacteria | Authors: | Yuan, Z, Yan, X. | Deposit date: | 2012-07-07 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism by which surface antigen HP0197 mediates host cell attachment in the pathogenic bacteria Streptococcus suis J.Biol.Chem., 288, 2013
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