2XMN
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![BU of 2xmn by Molmil](/molmil-images/mine/2xmn) | High resolution snapshots of defined TolC open states present an iris- like movement of periplasmic entrance helices | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Outer membrane protein TolC | Authors: | Pei, X.Y, Koronakis, E, Hughes, C, Koronakis, V. | Deposit date: | 2010-07-28 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structures of sequential open states in a symmetrical opening transition of the TolC exit duct. Proc. Natl. Acad. Sci. U.S.A., 108, 2011
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3DVA
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![BU of 3dva by Molmil](/molmil-images/mine/3dva) | Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | Authors: | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | Deposit date: | 2008-07-18 | Release date: | 2009-01-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex Structure, 16, 2008
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3DUF
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![BU of 3duf by Molmil](/molmil-images/mine/3duf) | Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | Authors: | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | Deposit date: | 2008-07-17 | Release date: | 2009-01-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex Structure, 16, 2008
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3DV0
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![BU of 3dv0 by Molmil](/molmil-images/mine/3dv0) | Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | Authors: | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | Deposit date: | 2008-07-18 | Release date: | 2009-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex Structure, 16, 2008
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5A0T
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![BU of 5a0t by Molmil](/molmil-images/mine/5a0t) | Catalysis and 5' end sensing by ribonuclease RNase J of the metallo- beta-lactamase family | Descriptor: | 5'-R(*CP*GP*CP*CP*UP)-3', DI(HYDROXYETHYL)ETHER, RIBONUCLEASE J, ... | Authors: | Pei, X.Y, Bralley, P, Jones, G.H, Luisi, B.F. | Deposit date: | 2015-04-22 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.283 Å) | Cite: | Linkage of Catalysis and 5' End Recognition in Ribonuclease Rnase J Nucleic Acids Res., 43, 2015
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5A0V
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![BU of 5a0v by Molmil](/molmil-images/mine/5a0v) | Catalysis and 5' end sensing by ribonuclease RNase J of the metallo- beta-lactamase family | Descriptor: | 5'-R(*CP*GP*CP*CP*UP*CP)-3', CYTIDINE-5'-MONOPHOSPHATE, RIBONUCLEASE J, ... | Authors: | Pei, X.Y, Bralley, P, Jones, G.H, Luisi, B.F. | Deposit date: | 2015-04-23 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Linkage of Catalysis and 5' End Recognition in Ribonuclease Rnase J Nucleic Acids Res., 43, 2015
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2WVG
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![BU of 2wvg by Molmil](/molmil-images/mine/2wvg) | Structural insights into the pre-reaction state of pyruvate decarboxylase from Zymomonas mobilis | Descriptor: | 2-{1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-METHYL-1H-1,2,3-TRIAZOL-4-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ... | Authors: | Pei, X.Y, Erixon, K, Luisi, B.F, Leeper, F.J. | Deposit date: | 2009-10-16 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights Into the Pre-Reaction State of Pyruvate Decarboxylase from Zymomonas Mobilis Biochemistry, 49, 2010
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2WVA
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![BU of 2wva by Molmil](/molmil-images/mine/2wva) | Structural insights into the pre-reaction state of pyruvate decarboxylase from Zymomonas mobilis | Descriptor: | 2-{1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-METHYL-1H-1,2,3-TRIAZOL-4-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, MAGNESIUM ION, PYRUVATE DECARBOXYLASE, ... | Authors: | Pei, X.Y, Erixon, K, Luisi, B.F, Leeper, F.J. | Deposit date: | 2009-10-15 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights Into the Pre-Reaction State of Pyruvate Decarboxylase from Zymomonas Mobilis Biochemistry, 49, 2010
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2WVH
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![BU of 2wvh by Molmil](/molmil-images/mine/2wvh) | |
6O1L
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![BU of 6o1l by Molmil](/molmil-images/mine/6o1l) | Architectural principles for Hfq/Crc-mediated regulation of gene expression Hfq-Crc-amiE 2:3:2 complex | Descriptor: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | Authors: | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | Deposit date: | 2019-02-20 | Release date: | 2019-03-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Elife, 8, 2019
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6O1K
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![BU of 6o1k by Molmil](/molmil-images/mine/6o1k) | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Hfq-Crc-amiE 2:2:2 complex (core complex) | Descriptor: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | Authors: | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | Deposit date: | 2019-02-20 | Release date: | 2019-03-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Architectural principles for Hfq/Crc-mediated regulation of gene expression Elife, 8, 2019
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6O1M
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![BU of 6o1m by Molmil](/molmil-images/mine/6o1m) | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Hfq-Crc-amiE 2:4:2 complex | Descriptor: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | Authors: | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | Deposit date: | 2019-02-20 | Release date: | 2019-03-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Elife, 8, 2019
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1MD6
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![BU of 1md6 by Molmil](/molmil-images/mine/1md6) | High resolution crystal structure of murine IL-1F5 reveals unique loop conformation for specificity | Descriptor: | interleukin 1 family, member 5 (delta) | Authors: | Pei, X.Y, Dunn, E.F, Gay, N.J, O'Neill, L.A. | Deposit date: | 2002-08-07 | Release date: | 2003-09-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Resolution Structure of Murine Interleukin 1 Homologue IL-1F5 Reveals Unique Loop Conformations for Receptor Binding Specificity. Biochemistry, 42, 2003
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1NQB
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![BU of 1nqb by Molmil](/molmil-images/mine/1nqb) | TRIVALENT ANTIBODY FRAGMENT | Descriptor: | SINGLE-CHAIN ANTIBODY FRAGMENT | Authors: | Williams, R.L, Pei, X.Y. | Deposit date: | 1997-04-04 | Release date: | 1997-08-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The 2.0-A resolution crystal structure of a trimeric antibody fragment with noncognate VH-VL domain pairs shows a rearrangement of VH CDR3. Proc.Natl.Acad.Sci.USA, 94, 1997
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2WMZ
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![BU of 2wmz by Molmil](/molmil-images/mine/2wmz) | Structure of a mutated TolC | Descriptor: | CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC, SODIUM ION, ... | Authors: | Hinchliffe, P, Pei, X.Y, Symmons, M.F, Koronakis, E, Hughes, C, Koronakis, V. | Deposit date: | 2009-07-03 | Release date: | 2011-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of Sequential Open States in a Symmetrical Opening Transition of the Tolc Exit Duct. Proc.Natl.Acad.Sci.USA, 108, 2011
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7PCR
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![BU of 7pcr by Molmil](/molmil-images/mine/7pcr) | Helicobacter pylori RNase J | Descriptor: | Ribonuclease J | Authors: | Luisi, B.F, Pei, X.Y. | Deposit date: | 2021-08-03 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Acetylation regulates the oligomerization state and activity of RNase J, the Helicobacter pylori major ribonuclease. Nat Commun, 14, 2023
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4UOT
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![BU of 4uot by Molmil](/molmil-images/mine/4uot) | Thermodynamic hyperstability in parametrically designed helical bundles | Descriptor: | DESIGNED HELICAL BUNDLE 5H2L | Authors: | Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D. | Deposit date: | 2014-06-09 | Release date: | 2014-11-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | High Thermodynamic Stability of Parametrically Designed Helical Bundles Science, 346, 2014
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4UOS
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![BU of 4uos by Molmil](/molmil-images/mine/4uos) | Thermodynamic hyperstability in parametrically designed helical bundles | Descriptor: | DESIGNED HELICAL BUNDLE | Authors: | Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D. | Deposit date: | 2014-06-09 | Release date: | 2014-11-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | High Thermodynamic Stability of Parametrically Designed Helical Bundles Science, 346, 2014
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2BP7
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![BU of 2bp7 by Molmil](/molmil-images/mine/2bp7) | New crystal form of the Pseudomonas putida branched-chain dehydrogenase (E1) | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT | Authors: | Frank, R.A.W, Pratap, J.V, Pei, X.Y, Perham, R.N, Luisi, B.F. | Deposit date: | 2005-04-18 | Release date: | 2005-08-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Molecular Origins of Specificity in the Assembly of a Multienzyme Complex. Structure, 13, 2005
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6TMS
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![BU of 6tms by Molmil](/molmil-images/mine/6tms) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | SULFATE ION, a novel designed pore protein, affinity purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-12-05 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6TJ1
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![BU of 6tj1 by Molmil](/molmil-images/mine/6tj1) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | De novo designed WSHC6, purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-11-23 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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4ATO
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![BU of 4ato by Molmil](/molmil-images/mine/4ato) | New insights into the mechanism of bacterial Type III toxin-antitoxin systems: selective toxin inhibition by a non-coding RNA pseudoknot | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, TOXI, TOXN | Authors: | Short, F.L, Pei, X.Y, Blower, T.R, Ong, S.L, Luisi, B.F, Salmond, G.P.C. | Deposit date: | 2012-05-09 | Release date: | 2012-12-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selectivity and Self-Assembly in the Control of a Bacterial Toxin by an Antitoxic Noncoding RNA Pseudoknot. Proc.Natl.Acad.Sci.USA, 110, 2013
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1IK9
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![BU of 1ik9 by Molmil](/molmil-images/mine/1ik9) | CRYSTAL STRUCTURE OF A XRCC4-DNA LIGASE IV COMPLEX | Descriptor: | DNA LIGASE IV, DNA REPAIR PROTEIN XRCC4 | Authors: | Sibanda, B.L, Critchlow, S.E, Begun, J, Pei, X.Y, Jackson, S.P, Blundell, T.L, Pellegrini, L. | Deposit date: | 2001-05-03 | Release date: | 2001-11-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an Xrcc4-DNA ligase IV complex. Nat.Struct.Biol., 8, 2001
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1QLP
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![BU of 1qlp by Molmil](/molmil-images/mine/1qlp) | 2.0 ANGSTROM STRUCTURE OF INTACT ALPHA-1-ANTITRYPSIN: A CANONICAL TEMPLATE FOR ACTIVE SERPINS | Descriptor: | ALPHA-1-ANTITRYPSIN | Authors: | Elliott, P.R, Pei, X.Y, Dafforn, T, Read, R.J, Carrell, R.W, Lomas, D.A. | Deposit date: | 1999-09-10 | Release date: | 1999-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Topography of a 2.0 A structure of alpha1-antitrypsin reveals targets for rational drug design to prevent conformational disease. Protein Sci., 9, 2000
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1W85
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![BU of 1w85 by Molmil](/molmil-images/mine/1w85) | The crystal structure of pyruvate dehydrogenase E1 bound to the peripheral subunit binding domain of E2 | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROLIPOYLLYSINE-RESIDUE ACETYLTRANSFERASE COMPONENT OF PYRUVATE, MAGNESIUM ION, ... | Authors: | Frank, R.A.W, Pratap, J.V, Pei, X.Y, Perham, R.N, Luisi, B.F. | Deposit date: | 2004-09-16 | Release date: | 2004-11-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch and proton wire synchronize the active sites in thiamine enzymes. Science, 306, 2004
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