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6O6I
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BU of 6o6i by Molmil
Endoplasmic reticulum protein 29 (ERp29) C-terminal domain: Structure Determination from Backbone Amide Pseudocontact Shifts Generated by Double-histidine Cobalt Tags
Descriptor: Endoplasmic reticulum resident protein 29
Authors:Bahramzadeh, A, Huber, T, Otting, G.
Deposit date:2019-03-06
Release date:2019-07-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Three-Dimensional Protein Structure Determination Using Pseudocontact Shifts of Backbone Amide Protons Generated by Double-Histidine Co2+-Binding Motifs at Multiple Sites.
Biochemistry, 58, 2019
6O6P
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BU of 6o6p by Molmil
Structure of the regulator FasR from Mycobacterium tuberculosis in complex with DNA
Descriptor: DNA-forward, DNA-reverse, TetR family transcriptional regulator
Authors:Larrieux, N, Trajtenberg, F, Lara, J, Gramajo, H, Buschiazzo, A.
Deposit date:2019-03-07
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.851 Å)
Cite:Mycobacterium tuberculosis FasR senses long fatty acyl-CoA through a tunnel and a hydrophobic transmission spine.
Nat Commun, 11, 2020
1NCT
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BU of 1nct by Molmil
TITIN MODULE M5, N-TERMINALLY EXTENDED, NMR
Descriptor: TITIN
Authors:Pfuhl, M, Pastore, A.
Deposit date:1996-08-13
Release date:1996-11-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:When a module is also a domain: the role of the N terminus in the stability and the dynamics of immunoglobulin domains from titin.
J.Mol.Biol., 265, 1997
7YWD
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BU of 7ywd by Molmil
Human GDAP1 core domain, trigonal crystal form
Descriptor: Ganglioside-induced differentiation-associated protein 1
Authors:Raasakka, A, Kursula, P.
Deposit date:2022-02-13
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into Charcot-Marie-Tooth disease-linked mutations in human GDAP1.
Febs Open Bio, 12, 2022
7Z13
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BU of 7z13 by Molmil
S. cerevisiae CMGE dimer nucleating origin DNA melting
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, ...
Authors:Lewis, J.S, Sousa, J.S, Costa, A.
Deposit date:2022-02-24
Release date:2022-06-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanism of replication origin melting nucleated by CMG helicase assembly.
Nature, 606, 2022
6E5Y
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BU of 6e5y by Molmil
1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Argininosuccinate synthase, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-07-23
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.
To Be Published
6OXW
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BU of 6oxw by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-100
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
4ONW
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BU of 4onw by Molmil
Crystal structure of the catalytic domain of DapE protein from V.cholerea
Descriptor: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, ACETATE ION, ...
Authors:Nocek, B, Makowska-Grzyska, M, Jedrzejczak, R, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-29
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Dimerization Domain in DapE Enzymes Is required for Catalysis.
Plos One, 9, 2014
7Z21
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BU of 7z21 by Molmil
BAF A12T bound to the lamin A/C Ig-fold domain
Descriptor: Barrier-to-autointegration factor, N-terminally processed, CHLORIDE ION, ...
Authors:Marcelot, A, Legrand, P, Zinn-Justin, S.
Deposit date:2022-02-25
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:The BAF A12T mutation disrupts lamin A/C interaction, impairing robust repair of nuclear envelope ruptures in Nestor-Guillermo progeria syndrome cells.
Nucleic Acids Res., 50, 2022
6OZV
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BU of 6ozv by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-16
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
4OP4
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BU of 4op4 by Molmil
Crystal structure of the catalytic domain of DapE protein from V.cholerea in the Zn bound form
Descriptor: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, GLYCEROL, ...
Authors:Nocek, B, Makowska-Grzyska, M, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-02-04
Release date:2014-04-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:The Dimerization Domain in DapE Enzymes Is required for Catalysis.
Plos One, 9, 2014
1NJM
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BU of 1njm by Molmil
The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with a tRNA acceptor stem mimic (ASM) and the antibiotic sparsomycin
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L16, GENERAL STRESS PROTEIN CTC, ...
Authors:Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
Deposit date:2003-01-02
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
1NL3
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BU of 1nl3 by Molmil
CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS in APO FORM
Descriptor: PREPROTEIN TRANSLOCASE SECA 1 SUBUNIT
Authors:Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-01-06
Release date:2003-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase
Proc.Natl.Acad.Sci.USA, 100, 2003
1N9G
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BU of 1n9g by Molmil
Mitochondrial 2-enoyl thioester reductase Etr1p/Etr2p heterodimer from Candida tropicalis
Descriptor: 2,4-dienoyl-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Torkko, J.M, Koivuranta, K.T, Kastaniotis, A.J, Airenne, T.T, Glumoff, T, Ilves, M, Hartig, A, Gurvitz, A, Hiltunen, J.K.
Deposit date:2002-11-25
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Candida tropicalis expresses two mitochondrial 2-enoyl thioester reductases that are able to form both homodimers and heterodimers.
J.Biol.Chem., 278, 2003
2RHH
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BU of 2rhh by Molmil
Synthetic Gene Encoded Bacillus Subtilis FtsZ with Bound Sulfate Ion
Descriptor: Cell Division Protein ftsZ, SULFATE ION
Authors:Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-10-09
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
BMC Biotechnol., 9, 2009
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-20
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
1ND1
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BU of 1nd1 by Molmil
Amino acid sequence and crystal structure of BaP1, a metalloproteinase from Bothrops asper snake venom that exerts multiple tissue-damaging activities.
Descriptor: BaP1, ZINC ION
Authors:Watanabe, L, Shannon, J.D, Valente, R.H, Rucavado, A, Alape-Giron, A, Kamiguti, A.S, Theakston, R.D, Fox, J.W, Gutierrez, J.M, Arni, R.K.
Deposit date:2002-12-06
Release date:2003-11-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Amino acid sequence and crystal structure of BaP1, a metalloproteinase from Bothrops asper snake venom that exerts multiple tissue-damaging activities
Protein Sci., 12, 2003
6P52
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BU of 6p52 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae with a bound phosphate at the active site
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6P56
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BU of 6p56 by Molmil
Crystal structure of the transpeptidase domain of a T498A mutant of PBP2 from Neisseria gonorrhoeae
Descriptor: PHOSPHATE ION, peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
4Y35
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BU of 4y35 by Molmil
Endothiapepsin in complex with fragment 290
Descriptor: 4-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
6UE4
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BU of 6ue4 by Molmil
ShyA Endopeptidase from Vibrio cholerae (Closed form)
Descriptor: GLYCEROL, ShyA endopeptidase, ZINC ION
Authors:Mao, Y, Sulpizio, A.
Deposit date:2019-09-20
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of peptidoglycan endopeptidase regulation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P6B
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BU of 6p6b by Molmil
CS-Rosetta Model of PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15
Authors:Wei, Y, Crespo Flores, S, Cabezas, A, Hassan, S.
Deposit date:2019-06-03
Release date:2019-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:PEA-15 C-Terminal Tail Allosterically Modulates Death-Effector Domain Conformation and Facilitates Protein-Protein Interactions.
Int J Mol Sci, 20, 2019
6P1J
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BU of 6p1j by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo2 serine module
Descriptor: ACETATE ION, CHLORIDE ION, CITRATE ANION, ...
Authors:Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-20
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
1F5N
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BU of 1f5n by Molmil
HUMAN GUANYLATE BINDING PROTEIN-1 IN COMPLEX WITH THE GTP ANALOGUE, GMPPNP.
Descriptor: INTERFERON-INDUCED GUANYLATE-BINDING PROTEIN 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Prakash, B, Renault, L, Praefcke, G.J.K, Herrmann, C, Wittinghofer, A.
Deposit date:2000-06-15
Release date:2000-09-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Triphosphate structure of guanylate-binding protein 1 and implications for nucleotide binding and GTPase mechanism.
EMBO J., 19, 2000
5I6A
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BU of 5i6a by Molmil
bicyclo[3.3.2]decapeptide
Descriptor: ALA-PHE-GLY-LYD-VAL-PHE-PRO-GLN-ALA-GLY, DIMETHYL SULFOXIDE
Authors:Bartoloni, M, Waltersperger, S, Bumann, M, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2016-02-16
Release date:2016-03-09
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.813 Å)
Cite:Stereoselective synthesis and structure determination of a bicyclo[3.3.2]decapeptide
Arkivoc, 2014, 2014

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