7CMO
 
 | | Crystal structure of human inorganic pyrophosphatase | | Descriptor: | Inorganic pyrophosphatase | | Authors: | Hu, F, Huang, Z, Li, L. | | Deposit date: | 2020-07-28 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural and biochemical characterization of inorganic pyrophosphatase from Homo sapiens.
Biochem.Biophys.Res.Commun., 533, 2020
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5VOJ
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5VP9
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4ONA
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5ETX
 | | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue) | | Descriptor: | CHLORIDE ION, NS3 protease, ZINC ION, ... | | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
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5WVE
 | | Apaf-1-Caspase-9 holoenzyme | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Caspase, ... | | Authors: | Li, Y, Zhou, M, Hu, Q, Shi, Y. | | Deposit date: | 2016-12-24 | | Release date: | 2017-02-08 | | Last modified: | 2017-03-01 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Mechanistic insights into caspase-9 activation by the structure of the apoptosome holoenzyme
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4E1N
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4E1M
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4EC0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-[2-(aminomethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4EE0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, Hematopoietic prostaglandin D synthase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | | Deposit date: | 2012-03-28 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4EDZ
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | | Deposit date: | 2012-03-27 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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4EDY
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-[2-(hydroxymethyl)naphthalen-1-yl]-N-[2-(morpholin-4-yl)ethyl]benzamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I, Kiefer, J.R. | | Deposit date: | 2012-03-27 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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5GRL
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5GRF
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5GRE
 | | Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+), citrate and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CITRIC ACID, Isocitrate dehydrogenase [NAD] subunit alpha, ... | | Authors: | Ma, T, Peng, Y, Ding, J. | | Deposit date: | 2016-08-11 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Molecular mechanism of the allosteric regulation of the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 7, 2017
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5GRH
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5GRI
 | | Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+) and citrate | | Descriptor: | CITRIC ACID, Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, ... | | Authors: | Ma, T, Peng, Y, Ding, J. | | Deposit date: | 2016-08-11 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Molecular mechanism of the allosteric regulation of the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 7, 2017
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5JNX
 | | The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ... | | Authors: | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N. | | Deposit date: | 2016-05-01 | | Release date: | 2016-06-15 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (6.56 Å) | | Cite: | Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection
Cell, 165, 2016
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3KXO
 | | An orally active inhibitor bound at the active site of HPGDS | | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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7WRZ
 | | Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ... | | Authors: | Zhang, Z.Z, Xiao, J.J. | | Deposit date: | 2022-01-28 | | Release date: | 2022-06-22 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7WRO
 | | Local structure of BD55-3372 and delta spike | | Descriptor: | 3372H, 3372L, Spike protein S1 | | Authors: | Liu, P.L. | | Deposit date: | 2022-01-27 | | Release date: | 2022-06-22 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7WRL
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7WR8
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7XIZ
 | | SARS-CoV-2 Omicron BA.3 variant spike (local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1 | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-14 | | Release date: | 2022-07-13 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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7XNQ
 | | SARS-CoV-2 Omicron BA.4 variant spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-29 | | Release date: | 2022-07-13 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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