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8PRK
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BU of 8prk by Molmil
THE R78K AND D117E ACTIVE SITE VARIANTS OF SACCHAROMYCES CEREVISIAE SOLUBLE INORGANIC PYROPHOSPHATASE: STRUCTURAL STUDIES AND MECHANISTIC IMPLICATIONS
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, PROTEIN (INORGANIC PYROPHOSPHATASE)
Authors:Tuominen, V, Heikinheimo, P, Kajander, T, Torkkel, T, Hyytia, T, Kapyla, J, Lahti, R, Cooperman, B.S, Goldman, A.
Deposit date:1998-09-16
Release date:1998-12-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The R78K and D117E active-site variants of Saccharomyces cerevisiae soluble inorganic pyrophosphatase: structural studies and mechanistic implications.
J.Mol.Biol., 284, 1998
5FF4
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BU of 5ff4 by Molmil
HydE from T. maritima in complex with (2R,4R)-TMeTDA
Descriptor: (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FT0
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BU of 5ft0 by Molmil
Crystal structure of gp37(Dip) from bacteriophage phiKZ
Descriptor: ARGININE, GP37, POTASSIUM ION
Authors:Van den Bossche, A, Hardwick, S.W, Ceyssens, P.J, Hendrix, H, Voet, M, Dendooven, T, Bandyra, K.J, De Maeyer, M, Aertsen, A, Noben, J.P, Luisi, B.F, Lavigne, R.
Deposit date:2016-01-08
Release date:2016-08-03
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome.
Elife, 5, 2016
3B8O
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BU of 3b8o by Molmil
Structure of WzzE- Bacterial Polysaccharide Co-polymerase
Descriptor: Lipopolysaccharide biosynthesis protein wzzE
Authors:Tocilj, A, Matte, A, Cygler, M.
Deposit date:2007-11-01
Release date:2008-01-22
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bacterial polysaccharide co-polymerases share a common framework for control of polymer length
Nat.Struct.Mol.Biol., 15, 2008
5MEO
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BU of 5meo by Molmil
Human Leukocyte Antigen presenting ILGKFLHRL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
Deposit date:2016-11-16
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
5FIJ
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BU of 5fij by Molmil
Bovine mitochondrial ATP synthase state 2c
Descriptor: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
Authors:Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
Deposit date:2015-09-28
Release date:2015-10-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
5J7G
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BU of 5j7g by Molmil
Structure of MDM2 with low molecular weight inhibitor with aliphatic linker.
Descriptor: 4-({6-[(6-chloro-3-{1-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl}-1H-indole-2-carbonyl)oxy]hexyl}amino)-4-oxobutanoic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Twarda-Clapa, A, Kubica, K, Guzik, K, Dubin, G, Holak, T.A.
Deposit date:2016-04-06
Release date:2017-05-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers.
J. Med. Chem., 60, 2017
5FY8
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BU of 5fy8 by Molmil
Crystal structure of human JMJD2A in complex with D-threo-isocitrate
Descriptor: 1,2-ETHANEDIOL, 3-carboxy-2,3-dideoxy-D-erythro-pentaric acid, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2016-03-04
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Crystal Structure of Human Jmjd2A in Complex with D-Threo-Isocitrate
To be Published
5FZF
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BU of 5fzf by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3962
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3962
To be Published
5FTL
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BU of 5ftl by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation I)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FOL
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BU of 5fol by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA)
Descriptor: 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
Authors:Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOM
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BU of 5fom by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION
Authors:Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
Deposit date:2015-11-24
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5MNF
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BU of 5mnf by Molmil
Cationic trypsin in its apo form (deuterated sample at 295 K)
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
3IHE
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BU of 3ihe by Molmil
Crystal structure of mouse Bcl-xl mutant (F105A) at pH 6.0
Descriptor: Bcl-2-like protein 1
Authors:Priyadarshi, A, Hwang, K.Y.
Deposit date:2009-07-30
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into mouse anti-apoptotic Bcl-xl reveal affinity for Beclin 1 and gossypol.
Biochem.Biophys.Res.Commun., 394, 2010
4HS5
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BU of 4hs5 by Molmil
Frataxin from Psychromonas ingrahamii as a model to study stability modulation within CyaY protein family
Descriptor: Protein CyaY
Authors:Roman, E.A, Cousido-siah, A, Mitschler, A, Podjarny, A, Santos, J.
Deposit date:2012-10-29
Release date:2013-03-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Frataxin from Psychromonas ingrahamii as a model to study stability modulation within the CyaY protein family
Biochim.Biophys.Acta, 1834, 2013
1HKU
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BU of 1hku by Molmil
CtBP/BARS: a dual-function protein involved in transcription corepression and Golgi membrane fission
Descriptor: C-TERMINAL BINDING PROTEIN 3, FORMIC ACID, GLYCEROL, ...
Authors:Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M.
Deposit date:2003-03-11
Release date:2003-06-19
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission
Embo J., 22, 2003
3ILC
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BU of 3ilc by Molmil
Crystal structure of mouse Bcl-xl mutant (Y101A) at pH 6.0
Descriptor: Bcl-2-like protein 1
Authors:Priyadarshi, A, Hwang, K.Y.
Deposit date:2009-08-07
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural insights into mouse anti-apoptotic Bcl-xl reveal affinity for Beclin 1 and gossypol.
Biochem.Biophys.Res.Commun., 2010
6B0A
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BU of 6b0a by Molmil
Crystal structure of Pfs25 in complex with the transmission blocking antibody 1269
Descriptor: 1269 antibody, heavy chain, light chain, ...
Authors:Scally, S.W, McLeod, B, Bosch, A, King, C.R, Julien, J.P.
Deposit date:2017-09-14
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25.
Nat Commun, 8, 2017
6SGB
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BU of 6sgb by Molmil
mt-SSU assemblosome of Trypanosoma brucei
Descriptor: 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2019-08-03
Release date:2019-09-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
5FEZ
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BU of 5fez by Molmil
HydE from T. maritima in complex with (2R,4R)-MeSeTDA, 5'-deoxyadenosine and methionine
Descriptor: (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FIK
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BU of 5fik by Molmil
Bovine mitochondrial ATP synthase state 3a
Descriptor: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
Authors:Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
Deposit date:2015-09-28
Release date:2015-10-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
5FSC
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BU of 5fsc by Molmil
Structure of tectonin 2 from Laccaria bicolor in complex with allyl- alpha_4-methyl-mannoside
Descriptor: MAGNESIUM ION, TECTONIN 2, prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
Authors:Sommer, R, Bleuer, S, Titz, A, Kunzler, M, Varrot, A.
Deposit date:2016-01-04
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense.
Structure, 26, 2018
8A2L
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BU of 8a2l by Molmil
X-ray structure of TRIL-encapsulated human heavy chain ferritin
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2022-06-03
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:A new and efficient procedure to load bioactive molecules within the human heavy-chain ferritin nanocage.
Front Mol Biosci, 10, 2023
8A5N
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BU of 8a5n by Molmil
X-ray structure of human H-chain ferritin treated with SDS
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2022-06-15
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A new and efficient procedure to load bioactive molecules within the human heavy-chain ferritin nanocage.
Front Mol Biosci, 10, 2023
7UUM
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BU of 7uum by Molmil
Crystal structure of aminoglycoside resistance enzyme ApmA, complex with paromomycin and coenzyme A
Descriptor: Aminocyclitol acetyltransferase ApmA, COENZYME A, GLYCEROL, ...
Authors:Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-04-28
Release date:2022-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Mechanistic plasticity in ApmA enables aminoglycoside promiscuity for resistance.
Nat.Chem.Biol., 20, 2024

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