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6ZAG
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BU of 6zag by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms.
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 (1.4001 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAJ
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BU of 6zaj by Molmil
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
6ZAN
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BU of 6zan by Molmil
Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV.
Descriptor: FE (III) 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 (1.35 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAM
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BU of 6zam by Molmil
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
6YTC
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BU of 6ytc by Molmil
Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter
Descriptor: TonB-dependent receptor
Authors:Rath, P, Mazur, A, Hiller, S.
Deposit date:2020-04-24
Release date:2020-07-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZLU
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BU of 6zlu by Molmil
Closed-closed state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZM1
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BU of 6zm1 by Molmil
Open-closed state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZLT
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BU of 6zlt by Molmil
Open-open state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
Descriptor: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
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:2020-07-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
3DEN
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BU of 3den by Molmil
Structure of E. coli DHDPS mutant Y107W
Descriptor: Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Pearce, F.G, Gerrard, J.A, Perugini, M.A, Jameson, G.B.
Deposit date:2008-06-10
Release date:2008-11-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutating the tight-dimer interface of dihydrodipicolinate synthase disrupts the enzyme quaternary structure: toward a monomeric enzyme
Biochemistry, 47, 2008
3ESL
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BU of 3esl by Molmil
Crystal structure of the conserved N-terminal domain of the mitotic checkpoint component BUB1
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Checkpoint serine/threonine-protein kinase BUB1
Authors:Bolanos-Garcia, V.M, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Crystal Structure of the N-Terminal Region of BUB1 Provides Insight into the Mechanism of BUB1 Recruitment to Kinetochores.
Structure, 17, 2009
2N7I
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BU of 2n7i by Molmil
NMR structure of the prolactin receptor transmembrane domain
Descriptor: Prolactin receptor
Authors:Bugge, K, Kragelund, B.B.
Deposit date:2015-09-11
Release date:2016-05-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A combined computational and structural model of the full-length human prolactin receptor.
Nat Commun, 7, 2016
3ZQO
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BU of 3zqo by Molmil
Crystal structure of the small terminase oligomerization core domain from a SPP1-like bacteriophage (crystal form 3)
Descriptor: POTASSIUM ION, TERMINASE SMALL SUBUNIT
Authors:Buttner, C.R, Chechik, M, Ortiz-Lombardia, M, Smits, C, Chechik, V, Jeschke, G, Dykeman, E, Benini, S, Alonso, J.C, Antson, A.A.
Deposit date:2011-06-10
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis for DNA Recognition and Loading Into a Viral Packaging Motor.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZQP
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BU of 3zqp by Molmil
Crystal structure of the small terminase oligomerization domain from a SPP1-like bacteriophage
Descriptor: TERMINASE SMALL SUBUNIT
Authors:Buttner, C.R, Chechik, M, Ortiz-Lombardia, M, Smits, C, Chechik, V, Jeschke, G, Dykeman, E, Benini, S, Alonso, J.C, Antson, A.A.
Deposit date:2011-06-10
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for DNA Recognition and Loading Into a Viral Packaging Motor.
Proc.Natl.Acad.Sci.USA, 109, 2012
4BWD
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BU of 4bwd by Molmil
Human short coiled coil protein
Descriptor: SHORT COILED-COIL PROTEIN
Authors:Behrens, C, Binotti, B, Chua, J.J, Kuhnel, K.
Deposit date:2013-07-01
Release date:2013-09-11
Last modified:2013-10-16
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Crystal Structure of the Human Short Coiled Coil Protein and Insights Into Scoc-Fez1 Complex Formation.
Plos One, 8, 2013
4BTE
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BU of 4bte by Molmil
DJ-1 Cu(I) complex
Descriptor: COPPER (I) ION, PROTEIN DJ-1
Authors:Puno, M.R.A, Odell, M, Moody, P.C.E.
Deposit date:2013-06-14
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of Cu(I)-Bound Dj-1 Reveals a Biscysteinate Metal Binding Site at the Homodimer Interface: Insights Into Mutational Inactivation of Dj-1 in Parkinsonism.
J.Am.Chem.Soc., 135, 2013
2C63
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BU of 2c63 by Molmil
14-3-3 Protein Eta (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN ETA, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
Authors:Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A.
Deposit date:2005-11-07
Release date:2005-11-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
2BQ0
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BU of 2bq0 by Molmil
14-3-3 Protein Beta (Human)
Descriptor: 14-3-3 BETA/ALPHA
Authors:Yang, X, Elkins, J.M, Fedorov, O, Longman, E.J, Sobott, L, Ball, L.J, Sundstrom, M, Arrowsmith, C, Edwards, A, Doyle, D.A.
Deposit date:2005-04-26
Release date:2005-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
4CU4
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BU of 4cu4 by Molmil
FhuA from E. coli in complex with the lasso peptide microcin J25 (MccJ25)
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, DIPHOSPHATE, ...
Authors:Mathavan, I, Rebuffat, S, Beis, K.
Deposit date:2014-03-17
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Hijacking Siderophore Receptors by Antimicrobial Lasso Peptides.
Nat.Chem.Biol., 10, 2014
2BTP
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BU of 2btp by Molmil
14-3-3 Protein Theta (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN TAU, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
Authors:Elkins, J.M, Johansson, A.C.E, Smee, C, Yang, X, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-06-05
Release date:2005-06-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
2BR9
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BU of 2br9 by Molmil
14-3-3 Protein Epsilon (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN EPSILON, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
Authors:Yang, X, Elkins, J.M, Soundararajan, M, Fedorov, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Doyle, D.A.
Deposit date:2005-05-03
Release date:2005-05-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
2C23
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BU of 2c23 by Molmil
14-3-3 Protein Beta (Human) in complex with exoenzyme S peptide
Descriptor: 14-3-3 BETA/ALPHA, EXOENZYME S PEPTIDE
Authors:Elkins, J.M, Schoch, G.A, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Doyle, D.A.
Deposit date:2005-09-26
Release date:2005-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
2C74
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BU of 2c74 by Molmil
14-3-3 Protein Eta (Human) Complexed to Peptide
Descriptor: 14-3-3 PROTEIN ETA, CITRIC ACID, CONSENSUS PEPTIDE MODE 1 FOR 14-3-3 PROTEINS
Authors:Elkins, J.M, Yang, X, Smee, C.E.A, Johansson, C, Sundstrom, M, Edwards, A, Weigelt, J, Arrowsmith, C, Doyle, D.A.
Deposit date:2005-11-17
Release date:2005-12-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for protein-protein interactions in the 14-3-3 protein family.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
5BY4
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BU of 5by4 by Molmil
Structure and function of the Escherichia coli Tol-Pal stator protein TolR
Descriptor: Protein TolR, SODIUM ION
Authors:Wojdyla, J.A, Kaminska, R, Kleanthous, C.
Deposit date:2015-06-10
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structure and Function of the Escherichia coli Tol-Pal Stator Protein TolR.
J.Biol.Chem., 290, 2015
5EC5
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BU of 5ec5 by Molmil
Crystal structure of lysenin pore
Descriptor: Lysenin, MERCURIBENZOIC ACID, MERCURY (II) ION
Authors:Podobnik, M, Savory, P, Rojko, N, Kisovec, M, Bruce, M, Jayasinghe, L, Anderluh, G.
Deposit date:2015-10-20
Release date:2016-05-18
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assembly.
Nat Commun, 7, 2016

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