9AX6
 
 | | Tricomplex of RMC-6236, KRAS G12D, and CypA | | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | Deposit date: | 2024-03-05 | | Release date: | 2024-04-17 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
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4I8T
 | | C.Esp1396I bound to a 19 base pair DNA duplex | | Descriptor: | DNA (5'-D(P*TP*GP*TP*GP*TP*GP*AP*TP*TP*AP*TP*AP*GP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(P*TP*GP*TP*TP*GP*AP*CP*TP*AP*TP*AP*AP*TP*CP*AP*CP*AP*CP*A)-3'), Regulatory protein | | Authors: | Martin, R.N.A, McGeehan, J.E, Kneale, G.G. | | Deposit date: | 2012-12-04 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural analysis of DNA-protein complexes regulating the restriction-modification system Esp1396I.
Acta Crystallogr.,Sect.F, 69, 2013
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4IWR
 | | C.Esp1396I bound to a 25 base pair operator site | | Descriptor: | DNA (25-MER), Regulatory protein | | Authors: | Martin, R.N.A, McGeehan, J.E, Ball, N.J, Streeter, S.D, Thresh, S.-J, Kneale, G.G. | | Deposit date: | 2013-01-24 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of DNA-protein complexes regulating the restriction-modification system Esp1396I.
Acta Crystallogr.,Sect.F, 69, 2013
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4IVZ
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6WDT
 | | Enterovirus D68 in complex with human monoclonal antibody EV68-228 | | Descriptor: | EV68-228 heavy chain, EV68-228 light chain, viral protein 1, ... | | Authors: | Fu, J, Vogt, M.R, Klose, T, Crowe, J.E, Rossmann, M.G, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-01 | | Release date: | 2020-07-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Human antibodies neutralize enterovirus D68 and protect against infection and paralytic disease.
Sci Immunol, 5, 2020
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6WDS
 | | Enterovirus D68 in complex with human monoclonal antibody EV68-159 | | Descriptor: | EV68-159 heavy chain, EV68-159 light chain, viral protein 1, ... | | Authors: | Fu, J, Klose, T, Vogt, M.R, Crowe, J.E, Rossmann, M.G, Kuhn, R.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-01 | | Release date: | 2020-07-15 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Human antibodies neutralize enterovirus D68 and protect against infection and paralytic disease.
Sci Immunol, 5, 2020
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5OMU
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol | | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-08-01 | | Release date: | 2018-07-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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5OMS
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. | | Descriptor: | 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-08-01 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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5OMR
 | | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with vanillin. | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, GcoA, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2017-08-01 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Nat Commun, 9, 2018
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3J6U
 | | Cryo-EM structure of Dengue virus serotype 3 in complex with human antibody 5J7 Fab | | Descriptor: | Fab 5J7 heavy chain, Fab 5J7 light chain, envelope protein, ... | | Authors: | Fibriansah, G, Tan, J.L, Smith, S.A, de Alwis, R, Ng, T.-S, Kostyuchenko, V.A, Kukkaro, P, de Silva, A.M, Crowe Jr, J.E, Lok, S.-M. | | Deposit date: | 2014-03-26 | | Release date: | 2015-03-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | A highly potent human antibody neutralizes dengue virus serotype 3 by binding across three surface proteins.
Nat Commun, 6, 2015
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6V8N
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2W80
 | | Structure of a complex between Neisseria meningitidis factor H binding protein and CCPs 6-7 of human complement factor H | | Descriptor: | COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | | Authors: | Schneider, M.C, Prosser, B.E, Caesar, J.J.E, Kugelberg, E, Li, S, Zhang, Q, Quoraishi, S, Lovett, J.E, Deane, J.E, Sim, R.B, Roversi, P, Johnson, S, Tang, C.M, Lea, S.M. | | Deposit date: | 2009-01-08 | | Release date: | 2009-03-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Neisseria Meningitidis Recruits Factor H Using Protein Mimicry of Host Carbohydrates.
Nature, 458, 2009
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2W81
 | | Structure of a complex between Neisseria meningitidis factor H binding protein and CCPs 6-7 of human complement factor H | | Descriptor: | COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | | Authors: | Schneider, M.C, Prosser, B.E, Caesar, J.J.E, Kugelberg, E, Li, S, Zhang, Q, Quoraishi, S, Lovett, J.E, Deane, J.E, Sim, R.B, Roversi, P, Johnson, S, Tang, C.M, Lea, S.M. | | Deposit date: | 2009-01-08 | | Release date: | 2009-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Neisseria Meningitidis Recruits Factor H Using Protein Mimicry of Host Carbohydrates.
Nature, 458, 2009
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1H8E
 | | (ADP.AlF4)2(ADP.SO4) bovine F1-ATPase (all three catalytic sites occupied) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, GLYCEROL, ... | | Authors: | Menz, R.I, Walker, J.E, Leslie, A.G.W. | | Deposit date: | 2001-02-02 | | Release date: | 2001-08-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Bovine Mitochondrial F1-ATPase with Nucleotide Bound to All Three Catalytic Sites: Implications for the Mechanism of Rotary Catalysis
Cell(Cambridge,Mass.), 106, 2001
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6AT1
 | | STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION | | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ... | | Authors: | Stevens, R.C, Gouaux, J.E, Lipscomb, W.N. | | Deposit date: | 1990-04-26 | | Release date: | 1990-10-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural consequences of effector binding to the T state of aspartate carbamoyltransferase: crystal structures of the unligated and ATP- and CTP-complexed enzymes at 2.6-A resolution.
Biochemistry, 29, 1990
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4V0G
 | | JAK3 in complex with a covalent EGFR inhibitor | | Descriptor: | N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3 | | Authors: | Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X. | | Deposit date: | 2014-09-16 | | Release date: | 2016-01-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation
To be Published
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4WCX
 | | Crystal structure of HydG: A maturase of the [FeFe]-hydrogenase | | Descriptor: | ALANINE, Biotin and thiamin synthesis associated, FE (III) ION, ... | | Authors: | Dinis, P.C, Harmer, J.E, Driesener, R.C, Roach, P.L. | | Deposit date: | 2014-09-05 | | Release date: | 2015-02-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6UGL
 | | VqmA bound to DPO | | Descriptor: | 3,5-dimethylpyrazin-2(1H)-one, Helix-turn-helix transcriptional regulator | | Authors: | Paczkowski, J.E, Huang, X. | | Deposit date: | 2019-09-26 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanism underlying autoinducer recognition in theVibrio choleraeDPO-VqmA quorum-sensing pathway.
J.Biol.Chem., 295, 2020
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1H8H
 | | Bovine mitochondrial F1-ATPase crystallised in the presence of 5mm AMPPNP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE, ... | | Authors: | Braig, K, Menz, R.I, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2001-02-06 | | Release date: | 2001-04-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Structure and Nucleotide Occupancy of Bovine Mitochondrial F(1)-ATPase are not Influenced by Crystallisation at High Concentrations of Nucleotide
FEBS Lett., 494, 2001
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1QIQ
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACmC Fe COMPLEX) | | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-15 | | Release date: | 2000-06-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction.
Nature, 401, 1999
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1HXQ
 | | THE STRUCTURE OF NUCLEOTIDYLATED GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE FROM ESCHERICHIA COLI AT 1.86 ANGSTROMS RESOLUTION | | Descriptor: | FE (III) ION, HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE, URIDINE-5'-MONOPHOSPHATE, ... | | Authors: | Wedekind, J.E, Frey, P.A, Rayment, I. | | Deposit date: | 1996-06-16 | | Release date: | 1997-10-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The structure of nucleotidylated histidine-166 of galactose-1-phosphate uridylyltransferase provides insight into phosphoryl group transfer.
Biochemistry, 35, 1996
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1QJF
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX) | | Descriptor: | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-23 | | Release date: | 2000-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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1QJE
 | | Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex) | | Descriptor: | FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ... | | Authors: | Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E. | | Deposit date: | 1999-06-23 | | Release date: | 2000-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
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8AT1
 | | CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H | | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ... | | Authors: | Gouaux, J.E, Stevens, R.C, Lipscomb, W.N. | | Deposit date: | 1989-09-22 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of aspartate carbamoyltransferase ligated with phosphonoacetamide, malonate, and CTP or ATP at 2.8-A resolution and neutral pH.
Biochemistry, 29, 1990
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7QJR
 | | Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703) | | Descriptor: | Cutinase 1, TETRAETHYLENE GLYCOL | | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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