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6XSJ
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BU of 6xsj by Molmil
X-ray structure of a monoclinic form of alpha amylase from Aspergillus at 1.4 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McPherson, A.
Deposit date:2020-07-15
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
7B0C
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BU of 7b0c by Molmil
[4Fe-4S]-NsrR complexed to 23-bp HmpA1 operator fragment
Descriptor: DNA (5'-D(P*AP*AP*CP*AP*CP*GP*AP*AP*TP*AP*TP*CP*AP*TP*CP*TP*AP*CP*CP*AP*AP*TP*T)-3'), DNA (5'-D(P*AP*AP*TP*TP*GP*GP*TP*AP*GP*AP*TP*GP*AP*TP*AP*TP*TP*CP*GP*TP*GP*TP*T)-3'), HTH-type transcriptional repressor NsrR, ...
Authors:Rohac, R, Fontecilla-Camps, J.C, Volbeda, A.
Deposit date:2020-11-19
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural determinants of DNA recognition by the NO sensor NsrR and related Rrf2-type [FeS]-transcription factors.
Commun Biol, 5, 2022
5JJV
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BU of 5jjv by Molmil
Crystal structure of XerH site-specific recombinase bound to palindromic difH substrate: post-cleavage complex
Descriptor: CHLORIDE ION, DNA (5'-D(*TP*AP*GP*TP*TP*AP*TP*GP*AP*AP*AP*AP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*GP*TP*TP*TP*TP*CP*AP*TP*AP*AP*CP*TP*A)-3'), ...
Authors:Bebel, A, Barabas, O.
Deposit date:2016-04-25
Release date:2016-12-28
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural snapshots of Xer recombination reveal activation by synaptic complex remodeling and DNA bending.
Elife, 5, 2016
1PYY
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BU of 1pyy by Molmil
Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ...
Authors:Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A.
Deposit date:2003-07-09
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains
J.Biol.Chem., 278, 2003
6RV4
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BU of 6rv4 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-05-30
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
5JHJ
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BU of 5jhj by Molmil
M. Oryzae effector AVR-Pia mutant H3
Descriptor: Antivirulence protein AVR-Pia
Authors:Padilla, A, deGuillen, K.
Deposit date:2016-04-21
Release date:2017-03-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Recognition of the Magnaporthe oryzae Effector AVR-Pia by the Decoy Domain of the Rice NLR Immune Receptor RGA5.
Plant Cell, 29, 2017
3STN
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BU of 3stn by Molmil
Structure of human LFABP (apo-LFABP)
Descriptor: Fatty acid-binding protein, liver
Authors:Sharma, A, Sharma, A.
Deposit date:2011-07-11
Release date:2011-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Fatty acid induced remodeling within the Human liver fatty acid binding protein
J.Biol.Chem., 2011
4N84
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BU of 4n84 by Molmil
Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-17
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
5JPZ
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BU of 5jpz by Molmil
Crystal structure of HAT domain of human Squamous Cell Carcinoma Antigen Recognized By T Cells 3, SART3 (TIP110)
Descriptor: Squamous cell carcinoma antigen recognized by T-cells 3
Authors:Grazette, A, Harper, S, Emsley, J, Layfield, R, Dreveny, I.
Deposit date:2016-05-04
Release date:2016-05-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.045 Å)
Cite:unpublished
To Be Published
5JQE
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BU of 5jqe by Molmil
Crystal structure of caspase8 tDED
Descriptor: Sugar ABC transporter substrate-binding protein,Caspase-8 chimera
Authors:Fu, T, Li, Y, Lu, A, Wu, H.
Deposit date:2016-05-04
Release date:2016-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.157 Å)
Cite:Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex.
Mol. Cell, 64, 2016
5JS6
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BU of 5js6 by Molmil
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.
Descriptor: 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
Deposit date:2016-05-07
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
7A09
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BU of 7a09 by Molmil
Structure of a human ABCE1-bound 43S pre-initiation complex - State III
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Kratzat, H, Mackens-Kiani, T, Ameismeier, A, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-08-07
Release date:2020-10-14
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A structural inventory of native ribosomal ABCE1-43S pre-initiation complexes.
Embo J., 40, 2021
5JT7
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BU of 5jt7 by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 1-(2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazol-6-yl)guanidine
Descriptor: GLYCEROL, N-(2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazol-5-yl)guanidine, Queuine tRNA-ribosyltransferase, ...
Authors:Ehrmann, F.R, Heine, A, Klebe, G.
Deposit date:2016-05-09
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
1U4S
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BU of 1u4s by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 2,6-naphthalenedisulphonic acid
Descriptor: L-lactate dehydrogenase, NAPHTHALENE-2,6-DISULFONIC ACID
Authors:Conners, R, Cameron, A, Read, J, Schambach, F, Sessions, R.B, Brady, R.L.
Deposit date:2004-07-26
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Mol.Biochem.Parasitol., 142, 2005
5K7E
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BU of 5k7e by Molmil
The structure of pistol ribozyme, soaked with Mn2+
Descriptor: DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER
Authors:Ren, A, Patel, D.
Deposit date:2016-05-26
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
4C2D
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BU of 4c2d by Molmil
Crystal structure of the protease CtpB in an active state
Descriptor: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1, PEPTIDE2
Authors:Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
Deposit date:2013-08-17
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
5JOB
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BU of 5job by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-05-02
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
To be Published
2UUL
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BU of 2uul by Molmil
Crystal structure of C-phycocyanin from Phormidium, Lyngbya spp. (Marine) and Spirulina sp. (Fresh water) shows two different ways of energy transfer between two hexamers.
Descriptor: BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA CHAIN, C-PHYCOCYANIN BETA CHAIN, ...
Authors:Satyanarayana, L, Patel, A, Mishra, S, K Ghosh, P, Suresh, C.G.
Deposit date:2007-03-04
Release date:2008-05-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of C-Phycocyanin from Phormidium, Lyngbya Spp. (Marine) and Spirulina Sp. (Fresh Water) Shows Two Different Ways of Energy Transfer between Twohexamers.
To be Published
2G7S
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BU of 2g7s by Molmil
The crystal structure of transcriptional regulator, TetR family, from Agrobacterium tumefaciens
Descriptor: transcriptional regulator, TetR family
Authors:Lunin, V.V, Chang, C, Xu, X, Gu, J, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-02-28
Release date:2006-03-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structure of transcriptional regulator, TetR family, from Agrobacterium tumefaciens
To be Published
5JOQ
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BU of 5joq by Molmil
Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e
Descriptor: CHLORIDE ION, CITRIC ACID, Lmo2184 protein
Authors:Brunzelle, J.S, Wawrzak, Z, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-05-02
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of an ABC Transporter Substrate-Binding Protein from Listeria monocytogenes EGD-e
To Be Published
5FYO
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BU of 5fyo by Molmil
Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, crystal form 1
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C
Authors:Moroz, O.V, Blagova, E, Lebedev, A.A, Norgaard, A, Segura, D.R, Blicher, T.H, Wilson, K.S.
Deposit date:2016-03-08
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Acta Crystallogr D Struct Biol, 73, 2017
4C2E
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BU of 4c2e by Molmil
Crystal structure of the protease CtpB(S309A) present in a resting state
Descriptor: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB
Authors:Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
Deposit date:2013-08-17
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
5JQC
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BU of 5jqc by Molmil
Crystal structure putative autolysin from Listeria monocytogenes
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Lmo1076 protein, ...
Authors:Chang, C, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-05-04
Release date:2016-05-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Crystal structure putative autolysin from Listeria monocytogenes
To Be Published
4C59
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BU of 4c59 by Molmil
Structure of GAK kinase in complex with nanobody (NbGAK_4)
Descriptor: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cyclin-G-associated kinase, NANOBODY
Authors:Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
2GC8
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BU of 2gc8 by Molmil
Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase
Descriptor: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
Authors:Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S.
Deposit date:2006-03-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006

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