6KZ3
 
 | | YebT domain1-4 | | Descriptor: | Intermembrane transport protein YebT | | Authors: | Wang, H.W, Liu, C, Zhang, L. | | Deposit date: | 2019-09-23 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM Structure of a Bacterial Lipid Transporter YebT.
J.Mol.Biol., 432, 2020
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6YG1
 | | Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, SODIUM ION | | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC), Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2020-03-27 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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6YMJ
 | | Crystal structure of the SAM-SAH riboswitch with adenosine. | | Descriptor: | 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE, Chains: A,C,F,I,M,O, ... | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
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6YFZ
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7K4I
 | | Human Arginase 1 in complex with compound 06. | | Descriptor: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-09-15 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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6YLB
 | | Crystal structure of the SAM-SAH riboswitch with SAM | | Descriptor: | Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, S-ADENOSYLMETHIONINE | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 2020
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6YML
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7K4H
 | | Human Arginase 1 in complex with compound 04. | | Descriptor: | 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-09-15 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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3C7T
 | | Crystal structure of the ecdysone phosphate phosphatase, EPPase, from Bombix mori in complex with tungstate | | Descriptor: | CHLORIDE ION, Ecdysteroid-phosphate phosphatase, IODIDE ION, ... | | Authors: | Chen, Y, Carpino, N, Nassar, N. | | Deposit date: | 2008-02-08 | | Release date: | 2009-03-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural and functional characterization of the c-terminal domain of the ecdysteroid phosphate phosphatase from Bombyx mori reveals a new enzymatic activity.
Biochemistry, 47, 2008
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7K4J
 | | Human Arginase 1 in complex with compound 51. | | Descriptor: | 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-09-15 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7K4G
 | | Human Arginase 1 in complex with compound 01. | | Descriptor: | 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-09-15 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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7K4K
 | | Human Arginase 1 in complex with compound 52. | | Descriptor: | 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-09-15 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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6YMK
 | | Crystal structure of the SAM-SAH riboswitch with AMP | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, ... | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2020-04-08 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
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5FBN
 | | BTK kinase domain with inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
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2Q3G
 | | Structure of the PDZ domain of human PDLIM7 bound to a C-terminal extension from human beta-tropomyosin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ and LIM domain protein 7 | | Authors: | Gileadi, C, Papagrigoriou, E, Elkins, J, Burgess-Brown, N, Salah, E, Gileadi, O, Umeano, C, Bunkoczi, G, von Delft, F, Uppenberg, J, Pike, A.C.W, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-30 | | Release date: | 2007-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms
Protein Sci., 19, 2010
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6YG4
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5DI1
 | | MAP4K4 in complex with an inhibitor | | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Liu, S. | | Deposit date: | 2015-08-31 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
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6WIO
 | | Fab antigen complex | | Descriptor: | Fab Heavy chain, Fab Light chain, Interleukin-17A | | Authors: | Antonysamy, S. | | Deposit date: | 2020-04-10 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
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5FBO
 | | BTK-inhibitor co-structure | | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | Authors: | Fischmann, T.O. | | Deposit date: | 2015-12-14 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
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7Y0W
 | | Local structure of BD55-5514 and BD55-5840 Fab and Omicron BA.1 RBD complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5514H, BD55-5514L, ... | | Authors: | Zhang, Z, Xiao, J. | | Deposit date: | 2022-06-06 | | Release date: | 2022-09-28 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
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6YG2
 | | Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, ... | | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-27 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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7Y0C
 | | Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ... | | Authors: | Zhang, Z, Xiao, J. | | Deposit date: | 2022-06-04 | | Release date: | 2022-09-28 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
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6IYF
 | | Structure of pSTING complex | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein | | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | Deposit date: | 2018-12-15 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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7XW9
 | | Cryo-EM structure of the TRH-bound human TRHR-Gq complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ... | | Authors: | Ji, S, Dong, Y, Chen, L, Zang, S, Shen, D, Guo, J, Qin, J, Zhang, H, Wang, W, Shen, Q, Mao, C, Zhang, Y. | | Deposit date: | 2022-05-26 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular basis for the activation of thyrotropin-releasing hormone receptor.
Cell Discov, 8, 2022
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6XGQ
 | | YSD1 bacteriophage capsid | | Descriptor: | YSD1_16, YSD1_17 | | Authors: | Hardy, J.M, Dunstan, R, Venugopal, H, Lithgow, T.J, Coulibaly, F.J. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The architecture and stabilisation of flagellotropic tailed bacteriophages.
Nat Commun, 11, 2020
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