1JO4
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8D2V
| Zebrafish MFSD2A isoform B in inward open ligand 1B conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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1BRN
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8UC3
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1BSC
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8D2U
| Zebrafish MFSD2A isoform B in inward open ligand 1A conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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8D2S
| Zebrafish MFSD2A isoform B in inward open ligand bound conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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6G8F
| Crystal structure of UTX complexed with GSK-J1 | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Esposito, C, Sledz, P, Caflisch, A. | Deposit date: | 2018-04-08 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.043 Å) | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model, 58, 2018
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8D2W
| Zebrafish MFSD2A isoform B in inward open ligand 2B conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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8IS2
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8D2T
| Zebrafish MFSD2A isoform B in inward open ligand-free conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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1C4D
| GRAMICIDIN CSCL COMPLEX | Descriptor: | CESIUM ION, CHLORIDE ION, GRAMICIDIN A, ... | Authors: | Wallace, B.A. | Deposit date: | 1999-06-04 | Release date: | 2000-01-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Gramicidin Pore: Crystal Structure of a Cesium Complex. Science, 241, 1988
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8D2X
| Zebrafish MFSD2A isoform B in inward open ligand 3C conformation | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | Deposit date: | 2022-05-30 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Lipid flipping in the omega-3 fatty-acid transporter. Nat Commun, 14, 2023
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2Y6N
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6GBX
| Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177 | Descriptor: | 1,2-ETHANEDIOL, 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine, Glutaminyl-peptide cyclotransferase, ... | Authors: | Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S. | Deposit date: | 2018-04-16 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The structure of the human glutaminyl cyclase-SEN177 complex indicates routes for developing new potent inhibitors as possible agents for the treatment of neurological disorders. J. Biol. Inorg. Chem., 23, 2018
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1KMS
| HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE | Descriptor: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W. | Deposit date: | 2001-12-17 | Release date: | 2002-07-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution. J.Mol.Biol., 320, 2002
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4LM3
| Crystal structure of PDE10A2 with fragment ZT464 | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, NICKEL (II) ION, ... | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-07-09 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. J Biomol Screen, 19, 2014
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4LM1
| Crystal structure of PDE10A2 with fragment ZT450 | Descriptor: | 5-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-07-09 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. J Biomol Screen, 19, 2014
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8CEV
| Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO1119 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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8CER
| Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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2YCP
| F448H mutant of tyrosine phenol-lyase from Citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-L-tyrosine | Descriptor: | (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid, 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A. | Deposit date: | 2011-03-16 | Release date: | 2011-09-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage J.Am.Chem.Soc., 133, 2011
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8CEQ
| Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO427 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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8CES
| Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO500 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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8CET
| Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO507 | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase | Authors: | Klima, M, Silhan, J, Boura, E. | Deposit date: | 2023-02-02 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. Nat Commun, 14, 2023
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3ZVY
| PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ... | Authors: | Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P. | Deposit date: | 2011-07-28 | Release date: | 2011-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers. Plos One, 6, 2011
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