1A50
 
 | | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE | | Descriptor: | 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I. | | Deposit date: | 1998-02-18 | | Release date: | 1999-03-30 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
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1A5S
 | | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE | | Descriptor: | 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SERINE, ... | | Authors: | Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I. | | Deposit date: | 1998-02-17 | | Release date: | 1999-03-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
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4U53
 | | Crystal structure of Deoxynivalenol bound to the yeast 80S ribosome | | Descriptor: | (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, 18S ribosomal RNA, 25S ribosomal RNA, ... | | Authors: | Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M. | | Deposit date: | 2014-07-24 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
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8G00
 | | Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand | | Descriptor: | DNA (31-MER), DNA (39-mer), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | | Deposit date: | 2023-01-31 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
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4U4Y
 | | Crystal structure of Pactamycin bound to the yeast 80S ribosome | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M. | | Deposit date: | 2014-07-24 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
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1ABS
 | | PHOTOLYSED CARBONMONOXY-MYOGLOBIN AT 20 K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Schlichting, I, Berendzen, J, Phillips Jr, G.N, Sweet, R.M. | | Deposit date: | 1997-01-28 | | Release date: | 1997-04-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of photolysed carbonmonoxy-myoglobin.
Nature, 371, 1994
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8V6K
 | | Apo-state cryo-EM structure of human TRPV3 in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.46 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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8V6N
 | | Open-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, ARACHIDONIC ACID, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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1WAY
 | | Active site thrombin inhibitors | | Descriptor: | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE, DIMETHYL SULFOXIDE, HIRUGEN, ... | | Authors: | Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-10-28 | | Release date: | 2005-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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5EBZ
 | | Crystal structure of human IKK1 | | Descriptor: | 2,3-di-O-sulfo-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-2,4-di-O-sulfo-alpha-D-glucopyranose, 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide, Inhibitor of nuclear factor kappa-B kinase subunit alpha, ... | | Authors: | Polley, S, Passos, D, Huang, D, Biswas, T, Verma, I, Lyumkis, D, Ghosh, G. | | Deposit date: | 2015-10-20 | | Release date: | 2016-11-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structural Basis for the Activation of IKK1/ alpha.
Cell Rep, 17, 2016
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6ZST
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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1A6N
 | | DEOXY-MYOGLOBIN, ATOMIC RESOLUTION | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | | Deposit date: | 1998-02-26 | | Release date: | 1999-04-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
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8V6O
 | | Inactivated-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, SODIUM ION, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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8V6L
 | | Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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8V6M
 | | Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-12-01 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
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6ZP3
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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1WBG
 | | Active site thrombin inhibitors | | Descriptor: | 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE, DIMETHYL SULFOXIDE, HIRUGEN, ... | | Authors: | Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-11-01 | | Release date: | 2005-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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4U3N
 | | Crystal structure of CCA trinucleotide bound to the yeast 80S ribosome | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M. | | Deposit date: | 2014-07-22 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
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8GUH
 | | Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with Tris | | Descriptor: | 1,2-ETHANEDIOL, Serine palmitoyltransferase, [4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | | Authors: | Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T. | | Deposit date: | 2022-09-12 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of Sphingobacterium multivorum serine palmitoyltransferase complexed with tris(hydroxymethyl)aminomethane.
Acta Crystallogr.,Sect.F, 78, 2022
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2FRB
 | | NMR structure of the alpha-conotoxin GI (ASN4)-benzoylphenylalanine derivative | | Descriptor: | Alpha-conotoxin GIA | | Authors: | Pashkov, V.S, Maslennikov, I, Kasheverov, I.V, Zhmak, M.N, Utkin, Y.N, Tsetlin, V.I, Arseniev, A.S. | | Deposit date: | 2006-01-19 | | Release date: | 2006-05-30 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Alpha-Conotoxin GI benzoylphenylalanine derivatives. (1)H-NMR structures and photoaffinity labeling of the Torpedo californica nicotinic acetylcholine receptor.
Febs J., 273, 2006
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8G7E
 | | Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-mer), ... | | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | | Deposit date: | 2023-02-16 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
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4U8W
 | | HIV-1 wild Type protease with GRL-050-10A (a Gem-difluoro-bis-Tetrahydrofuran as P2-Ligand) | | Descriptor: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2014-08-05 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Design of gem-Difluoro-bis-Tetrahydrofuran as P2 Ligand for HIV-1 Protease Inhibitors to Improve Brain Penetration: Synthesis, X-ray Studies, and Biological Evaluation.
Chemmedchem, 10, 2015
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8GHD
 | | The structure of h12-LOX in hexameric form bound to inhibitor ML355 and arachidonic acid | | Descriptor: | ARACHIDONIC ACID, FE (II) ION, N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide, ... | | Authors: | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | Deposit date: | 2023-03-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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6RUF
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8GHE
 | | The structure of h12-LOX in tetrameric form bound to endogenous inhibitor oleoyl-CoA | | Descriptor: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | | Authors: | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | | Deposit date: | 2023-03-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.05 Å) | | Cite: | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
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