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4M8D
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BU of 4m8d by Molmil
Crystal structure of an isatin hydrolase bound to product analogue thioisatinate
Descriptor: CALCIUM ION, MANGANESE (II) ION, Putative uncharacterized protein, ...
Authors:Bjerregaard-Andersen, K, Sommer, T, Jensen, J.K, Jochimsen, B, Etzerodt, M, Morth, J.P.
Deposit date:2013-08-13
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A proton wire and water channel revealed in the crystal structure of isatin hydrolase.
J.Biol.Chem., 289, 2014
6GHW
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BU of 6ghw by Molmil
Substituting the prolines of 4-oxalocrotonate tautomerase with non-canonical analogue (2S)-3,4-dehydroproline
Descriptor: 2-hydroxymuconate tautomerase, CALCIUM ION
Authors:Pavkov-Keller, T, Lukesch, M.S, Wiltschi, B, Gruber, K.
Deposit date:2018-05-09
Release date:2019-03-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substituting the catalytic proline of 4-oxalocrotonate tautomerase with non-canonical analogues reveals a finely tuned catalytic system.
Sci Rep, 9, 2019
2QOS
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BU of 2qos by Molmil
Crystal structure of complement protein C8 in complex with a peptide containing the C8 binding site on C8
Descriptor: Complement component 8, gamma polypeptide, Complement component C8 alpha chain
Authors:Lovelace, L.L, Chiswell, B, Slade, D.J, Sodetz, J.M, Lebioda, L.
Deposit date:2007-07-20
Release date:2007-10-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of complement protein C8gamma in complex with a peptide containing the C8gamma binding site on C8alpha: Implications for C8gamma ligand binding.
Mol.Immunol., 45, 2008
2Q6P
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BU of 2q6p by Molmil
The Chemical Control of Protein Folding: Engineering a Superfolder Green Fluorescent Protein
Descriptor: Green fluorescent protein mutant 3
Authors:Steiner, T, Hess, P, Bae, J.H, Wiltschi, B, Moroder, L, Budisa, N.
Deposit date:2007-06-05
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthetic biology of proteins: tuning GFPs folding and stability with fluoroproline.
Plos One, 3, 2008
2W3L
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BU of 2w3l by Molmil
Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex
Descriptor: 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2
Authors:Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M.
Deposit date:2008-11-13
Release date:2008-12-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2LD0
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BU of 2ld0 by Molmil
Solution structure of the N-terminal domain of huntingtin (htt17) in 50 % TFE
Descriptor: Huntingtin
Authors:Michalek, M, Salnikov, E.S, Werten, S, Bechinger, B.
Deposit date:2011-05-13
Release date:2012-05-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and Topology of the Huntingtin 1-17 Membrane Anchor by a Combined Solution and Solid-State NMR Approach.
Biophys.J., 105, 2013
2JQ1
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BU of 2jq1 by Molmil
Phylloseptin-3
Descriptor: Phylloseptin-3
Authors:Resende, J.M, Mendonca Moraes, C, Almeida, F.C.L, Prates, M.V, Cesar, A, Valente, A, Bemquerer, M.P, Pilo-Veloso, D, Bechinger, B.
Deposit date:2007-05-25
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations
Peptides, 29, 2008
2JPY
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BU of 2jpy by Molmil
Phylloseptin-2
Descriptor: Phylloseptin-2 protein
Authors:Resende, J.M, Mendonca Moraes, C, Almeida, F.C.L, Prates, M.V, Cesar, A, Valente, A, Bemquerer, M.P, Pilo-Veloso, D, Bechinger, B.
Deposit date:2007-05-24
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations
Peptides, 29, 2008
2JQ0
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BU of 2jq0 by Molmil
Phylloseptin-1
Descriptor: Phylloseptin-1
Authors:Resende, J.M, Mendonca Moraes, C, Almeida, F.C.L, Prates, M.V, Cesar, A, Valente, A, Bemquerer, M.P, Pilo-Veloso, D, Bechinger, B.
Deposit date:2007-05-25
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations
Peptides, 29, 2008
2JX6
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BU of 2jx6 by Molmil
Structure and membrane interactions of the antibiotic peptide dermadistinctin k by solution and oriented 15N and 31P solid-state NMR spectroscopy
Descriptor: Dermadistinctin-K
Authors:Mendonca Moraes, C, Verly, R.M, Resende, J.M, Bemquerer, M.P, Pilo-Veloso, D, Valente, A, Almeida, F.C.L, Bechinger, B.
Deposit date:2007-11-08
Release date:2008-11-11
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure and membrane interactions of the antibiotic peptide dermadistinctin K by multidimensional solution and oriented 15N and 31P solid-state NMR spectroscopy
Biophys.J., 96, 2009
2K9B
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BU of 2k9b by Molmil
Structure and membrane interactions of the antibiotic peptide dermadistinctin K by multidimensional solution and oriented 15N and 31P solid-state NMR spectroscopy
Descriptor: Dermadistinctin-K
Authors:Moraes, C.M, Verly, R.M, Resende, J.M, Aisenbrey, C, Bemquerer, M.P, Pilo-Veloso, D, Valente, A, Almeida, F.C.L, Bechinger, B.
Deposit date:2008-10-07
Release date:2009-04-14
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure and membrane interactions of the antibiotic peptide dermadistinctin K by multidimensional solution and oriented 15N and 31P solid-state NMR spectroscopy.
Biophys.J., 96, 2009
2LD2
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BU of 2ld2 by Molmil
Solution structure of the N-terminal domain of huntingtin (htt17) in presence of DPC micelles
Descriptor: Huntingtin
Authors:Michalek, M, Salnikov, E.S, Werten, S, Bechinger, B.
Deposit date:2011-05-13
Release date:2012-05-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and Topology of the Huntingtin 1-17 Membrane Anchor by a Combined Solution and Solid-State NMR Approach.
Biophys.J., 105, 2013
2KJN
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BU of 2kjn by Molmil
pH dependent structures of LAH4 in micellar environmnet:mode of acting
Descriptor: lah4
Authors:Georgescu, J, Bechinger, B.
Deposit date:2009-06-04
Release date:2010-06-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structures of the histidine-rich peptide LAH4 in micellar environments: membrane insertion, pH-dependent mode of antimicrobial action, and DNA transfection.
Biophys.J., 99, 2010
2KJO
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BU of 2kjo by Molmil
pH dependent structures of LAH4 in micellar environment: mode of acting
Descriptor: lah4
Authors:Georgescu, J, Bechinger, B.
Deposit date:2009-06-04
Release date:2010-06-23
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR structures of the histidine-rich peptide LAH4 in micellar environments: membrane insertion, pH-dependent mode of antimicrobial action, and DNA transfection.
Biophys.J., 99, 2010
2YFY
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BU of 2yfy by Molmil
SERCA in the HnE2 State Complexed With Debutanoyl Thapsigargin
Descriptor: DEBUTANOYL THAPSIGARGIN, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Sonntag, Y, Musgaard, M, Olesen, C, Schiott, B, Moller, J.V, Nissen, P, Thogersen, L.
Deposit date:2011-04-11
Release date:2011-06-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mutual Adaptation of a Membrane Protein and its Lipid Bilayer During Conformational Changes.
Nat.Commun., 2, 2011
2WLB
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BU of 2wlb by Molmil
Adrenodoxin-like ferredoxin Etp1fd(516-618) of Schizosaccharomyces pombe mitochondria
Descriptor: ELECTRON TRANSFER PROTEIN 1, MITOCHONDRIAL, FE2/S2 (INORGANIC) CLUSTER
Authors:Mueller, J.J, Hannemann, F, Schiffler, B, Bernhardt, R, Heinemann, U.
Deposit date:2009-06-23
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Thermodynamic Characterization of the Adrenodoxin-Like Domain of the Electron-Transfer Protein Etp1 from Schizosaccharomyces Pombe.
J.Inorg.Biochem., 105, 2011
7L23
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BU of 7l23 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
Descriptor: 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-12-16
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
4VGC
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BU of 4vgc by Molmil
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
3R3K
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BU of 3r3k by Molmil
Crystal structure of a parallel 6-helix coiled coil
Descriptor: 1,2-ETHANEDIOL, CChex-Phi22 helix, CHLORIDE ION, ...
Authors:Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
Deposit date:2011-03-16
Release date:2011-11-16
Last modified:2011-11-30
Method:X-RAY DIFFRACTION (2.2009 Å)
Cite:A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
3R46
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BU of 3r46 by Molmil
Crystal structure of a parallel 6-helix coiled coil CC-hex-D24
Descriptor: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
Authors:Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
Deposit date:2011-03-17
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
3R4A
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BU of 3r4a by Molmil
Crystal structure of the 4-helix coiled coil CC-tet
Descriptor: coiled coil helix CC-tet
Authors:Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
Deposit date:2011-03-17
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0701 Å)
Cite:A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
3R47
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BU of 3r47 by Molmil
Crystal structure of a 6-helix coiled coil CC-hex-H24
Descriptor: BROMIDE ION, coiled coil helix L24H
Authors:Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
Deposit date:2011-03-17
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5002 Å)
Cite:A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
3R48
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BU of 3r48 by Molmil
Crystal structure of a hetero-hexamer coiled coil
Descriptor: GLYCEROL, coiled coil helix W22-L24H, coiled coil helix Y15-L24D
Authors:Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
Deposit date:2011-03-17
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0011 Å)
Cite:A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
3R4H
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BU of 3r4h by Molmil
Crystal structure of the 4-helix coiled coil CC-Tet-phi22
Descriptor: coiled coil helix CC-Tet-phi22
Authors:Zaccai, N.R, Chi, B.H.C, Woolfson, D.N, Brady, R.L.
Deposit date:2011-03-17
Release date:2011-11-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.7003 Å)
Cite:A de novo peptide hexamer with a mutable channel.
Nat.Chem.Biol., 7, 2011
7NCS
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BU of 7ncs by Molmil
Lateral-open conformation of the lid-locked BAM complex (BamA E435C S665C, BamBDCE) bound by a bactericidal Fab fragment
Descriptor: Fab1 heavy chain, Fab1 light chain, Outer membrane protein assembly factor BamA, ...
Authors:Haysom, S.F, Machin, J.M.
Deposit date:2021-01-29
Release date:2021-06-02
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021

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PDB entries from 2024-08-28

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