6ZAJ
| Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms. | Descriptor: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5301 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAM
| Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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4Y71
| Factor Xa complex with GTC000398 | Descriptor: | 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, CALCIUM ION, Coagulation factor X | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Factor Xa complex with GTC000398 To be Published
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4Y7A
| Factor Xa complex with GTC000422 | Descriptor: | CALCIUM ION, Coagulation factor X, MAGNESIUM ION, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Factor Xa complex with GTC000422 to be published
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6ZAK
| Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | Descriptor: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2022-01-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. To Be Published
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6MHW
| Structure of human TRPV3 in the presence of 2-APB in C2 symmetry (1) | Descriptor: | Transient receptor potential cation channel subfamily V member 3 | Authors: | Zubcevic, L, Herzik, M.A, Wu, M, Borschel, W.F, Hirschi, M, Song, A, Lander, G.C, Lee, S.Y. | Deposit date: | 2018-09-18 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Conformational ensemble of the human TRPV3 ion channel. Nat Commun, 9, 2018
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4RXY
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1YFR
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5VY3
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6MHV
| Structure of human TRPV3 in the presence of 2-APB in C4 symmetry | Descriptor: | Transient receptor potential cation channel subfamily V member 3 | Authors: | Zubcevic, L, Herzik, M.A, Wu, M, Borschel, W.F, Hirschi, M, Song, A, Lander, G.C, Lee, S.Y. | Deposit date: | 2018-09-18 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Conformational ensemble of the human TRPV3 ion channel. Nat Commun, 9, 2018
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6MHO
| Structure of the human TRPV3 channel in the apo conformation | Descriptor: | Transient receptor potential cation channel subfamily V member 3 | Authors: | Zubcevic, L, Herzik, M.A, Wu, M, Borschel, W.F, Hirschi, M, Song, A, Lander, G.C, Lee, S.Y. | Deposit date: | 2018-09-18 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Conformational ensemble of the human TRPV3 ion channel. Nat Commun, 9, 2018
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1YFS
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2RMU
| THREE-DIMENSIONAL STRUCTURES OF DRUG-RESISTANT MUTANTS OF HUMAN RHINOVIRUS 14 | Descriptor: | HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ... | Authors: | Badger, J, Krishnaswamy, S, Kremer, M.J, Oliveira, M.A, Rossmann, M.G, Heinz, B.A, Rueckert, R.R, Dutko, F.J, Mckinlay, M.A. | Deposit date: | 1988-10-03 | Release date: | 1990-01-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Three-dimensional structures of drug-resistant mutants of human rhinovirus 14. J.Mol.Biol., 207, 1989
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1YGB
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1YFT
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4PTA
| Structure of MDR initiator | Descriptor: | Replication initiator protein | Authors: | Schumacher, M.A. | Deposit date: | 2014-03-10 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6003 Å) | Cite: | Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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5VY5
| Rabbit muscle aldolase using 200keV | Descriptor: | Fructose-bisphosphate aldolase A | Authors: | Herzik Jr, M.A, Wu, M, Lander, G.C. | Deposit date: | 2017-05-24 | Release date: | 2017-06-14 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Achieving better-than-3- angstrom resolution by single-particle cryo-EM at 200 keV. Nat. Methods, 14, 2017
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5VY4
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4PQK
| C-Terminal domain of DNA binding protein | Descriptor: | Maltose ABC transporter periplasmic protein, Truncated replication protein RepA, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Schumacher, M.A, Chinnam, N, Tonthat, N.K. | Deposit date: | 2014-03-03 | Release date: | 2014-06-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.401 Å) | Cite: | Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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2CL5
| Catechol-O-methyltransferase in complex with an inhibitor | Descriptor: | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Palma, P.N, Rodrigues, M.L, Archer, M, Bonifacio, M.J, Loureiro, A.I, Learmonth, D.A, Carrondo, M.A, Soares-Da-Silva, P. | Deposit date: | 2006-04-26 | Release date: | 2006-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Comparative Study of Ortho- and Meta-Nitrated Inhibitors of Catechol-O-Methyltransferase: Interactions with the Active Site and Regioselectivity of O-Methylation. Mol.Pharmacol., 70, 2006
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3BXQ
| The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition | Descriptor: | ZINC ION, insulin A chain, insulin B chain | Authors: | Wan, Z.L, Huang, K, Hu, S.Q, Whittaker, J, Weiss, M.A. | Deposit date: | 2008-01-14 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition. J.Biol.Chem., 283, 2008
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9COJ
| SH3-like tandem domain of human KIN protein | Descriptor: | DNA/RNA-binding protein KIN17 | Authors: | de Lourenco, I.O, Fossey, M.A, Souza, F.P, Seixas, F.A.V, Fernandez, M.A, Almeida, F.C.L, Caruso, I.P. | Deposit date: | 2024-07-16 | Release date: | 2024-07-31 | Method: | SOLUTION NMR | Cite: | Solution structure of SH3-like tandem domain of human KIN protein and its interaction with RNA homo-oligonucleotides To Be Published
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6OCU
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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8OK0
| Crystal structure of human NQO1 in complex with the inhibitor PMSF | Descriptor: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | Deposit date: | 2023-03-26 | Release date: | 2023-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF. Febs Lett., 597, 2023
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2C26
| Structural basis for the promiscuous specificity of the carbohydrate- binding modules from the beta-sandwich super family | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDOGLUCANASE | Authors: | Najmudin, S, Guerreiro, C.I.P.D, Carvalho, A.L, Bolam, D.N, Prates, J.A.M, Correia, M.A.S, Alves, V.D, Ferreira, L.M.A, Romao, M.J, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2005-09-26 | Release date: | 2005-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Xyloglucan is Recognized by Carbohydrate-Binding Modules that Interact with Beta-Glucan Chains. J.Biol.Chem., 281, 2006
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