7UVQ
 
 | | Pfs230 domain 1 bound by RUPA-97 and 15C5 Fabs | | Descriptor: | Fab Heavy Chain, Fab Kappa Light Chain, Gametocyte surface protein P230 | | Authors: | Ivanochko, D, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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7UVO
 | | Pfs230 domain 1 bound by RUPA-38 Fab | | Descriptor: | CHLORIDE ION, Gametocyte surface protein P230, ISOPROPYL ALCOHOL, ... | | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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7UVI
 | | Pfs230 domain 1 bound by RUPA-55 Fab | | Descriptor: | Gametocyte surface protein P230, RUPA-55 Fab heavy chain, RUPA-55 Fab light chain | | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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7UVH
 | | Pfs230 domain 1 bound by RUPA-32 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMMONIUM ION, ... | | Authors: | Ivanochko, D, Newton, J, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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7UXL
 | | Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-44 and RUPA-29 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-29 Fab Heavy chain, ... | | Authors: | Hailemariam, S, Ivanochko, D, Julien, J.P. | | Deposit date: | 2022-05-05 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Highly potent, naturally acquired human monoclonal antibodies against Pfs48/45 block Plasmodium falciparum transmission to mosquitoes.
Immunity, 56, 2023
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7UVS
 | | Pfs230 domain 1 bound by LMIV230-02 Fab | | Descriptor: | Gametocyte surface protein P230, LMIV230-02 Fab heavy chain, LMIV230-02 Fab light chain, ... | | Authors: | Ivanochko, D, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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5TOZ
 | | JAK3 with covalent inhibitor PF-06651600 | | Descriptor: | 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-10-19 | | Release date: | 2016-11-09 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
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2LT1
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6O1G
 | | Full length human plasma kallikrein with inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, Plasma kallikrein | | Authors: | Partridge, J.R, Choy, R.M. | | Deposit date: | 2019-02-19 | | Release date: | 2019-03-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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2LT3
 | | Solution NMR structure of the C-terminal domain of CdnL from Myxococcus xanthus | | Descriptor: | Transcriptional regulator, CarD family | | Authors: | Mirassou, Y, Garcia-Moreno, D, Padmanabhan, S, Jimenez, M.A. | | Deposit date: | 2012-05-14 | | Release date: | 2013-11-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural Insights into RNA Polymerase Recognition and Essential Function of Myxococcus xanthus CdnL.
Plos One, 9, 2014
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6CJ3
 | | CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND PYRUVATE | | Descriptor: | ACETATE ION, Citrate lyase subunit beta-like protein, MAGNESIUM ION, ... | | Authors: | Fedorov, E.V, Fedorov, A.A, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2018-02-26 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6CHU
 | | CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETATE | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2018-02-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5TJX
 | | Structure of human plasma kallikrein | | Descriptor: | (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein | | Authors: | Partridge, J.R, Choy, R.M, Li, Z. | | Deposit date: | 2016-10-05 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.408 Å) | | Cite: | Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
ACS Med Chem Lett, 8, 2017
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7QBQ
 | | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | | Descriptor: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | | Deposit date: | 2021-11-19 | | Release date: | 2022-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
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7QBR
 | | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | | Deposit date: | 2021-11-19 | | Release date: | 2022-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
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5U3I
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | | Deposit date: | 2016-12-02 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
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5TTU
 | | Jak3 with covalent inhibitor 7 | | Descriptor: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-22 | | Last modified: | 2017-03-22 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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5TTS
 | | Jak3 with covalent inhibitor 4 | | Descriptor: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-22 | | Last modified: | 2017-03-22 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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5UFJ
 | | Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6 | | Descriptor: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | | Deposit date: | 2017-01-04 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
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5TTV
 | | Jak3 with covalent inhibitor 6 | | Descriptor: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-11-04 | | Release date: | 2017-02-22 | | Last modified: | 2017-03-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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3I97
 | | B1 domain of human Neuropilin-1 bound with small molecule EG00229 | | Descriptor: | (S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid, GLYCEROL, Neuropilin-1 | | Authors: | Allerston, C.K, Djordjevic, S. | | Deposit date: | 2009-07-10 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction.
J.Med.Chem., 53, 2010
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8POE
 | | Structure of tissue-specific lipid scramblase ATG9B homotrimer, refined with C3 symmetry applied | | Descriptor: | Autophagy-related protein 9B | | Authors: | Chiduza, G.N, Pye, V.E, Tooze, S.A, Cherepanov, P. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | ATG9B is a tissue-specific homotrimeric lipid scramblase that can compensate for ATG9A.
Autophagy, 20, 2024
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5A3U
 | | HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | | Descriptor: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION | | Authors: | Chowdhury, R, Gomez-Perez, V, Schofield, C.J. | | Deposit date: | 2015-06-03 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
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2LT4
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2LWJ
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