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7AKQ
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BU of 7akq by Molmil
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose obtained by soaking.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2020-10-01
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism
Comput Struct Biotechnol J, 19, 2021
5UQ4
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BU of 5uq4 by Molmil
Crystal structure of Heme-Degrading Protein Rv3592 from Mycobacterium tuberculosis - heme free with cleaved protein
Descriptor: Monooxygenase
Authors:Chang, C, Chhor, G, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-06
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Crystal structure of Heme-Degrading Protein Rv3592 from Mycobacterium tuberculosis - heme free with cleaved protein.
To Be Published
3WYB
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BU of 3wyb by Molmil
Structure of a meso-diaminopimelate dehydrogenase
Descriptor: Meso-diaminopimelate D-dehydrogenase
Authors:Sakuraba, H, Akita, H, Ohshima, T.
Deposit date:2014-08-25
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the thermostable NADP(+)-dependent meso-diaminopimelate dehydrogenase from Ureibacillus thermosphaericus
Acta Crystallogr.,Sect.D, 71, 2015
5URC
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BU of 5urc by Molmil
Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease
Descriptor: (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ...
Authors:Pagare, P.P, Safo, R.S, Gazi, A.
Deposit date:2017-02-10
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
7AL8
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BU of 7al8 by Molmil
Structure of ATSI with bovine trypsin
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
Authors:Reverter, D, Covaleda, G.
Deposit date:2020-10-05
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of ATSI with bovine trypsin
To Be Published
7AWP
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BU of 7awp by Molmil
Structure of the thermostabilized EAAT1 cryst-II mutant in complex with rubidium and barium ions and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
7AWM
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BU of 7awm by Molmil
Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP, three sodium ions and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
5V2J
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BU of 5v2j by Molmil
Crystal structure of UDP-glucosyltransferase, UGT74F2 (T15S), with UDP and 2-bromobenzoic acid
Descriptor: 2-bromobenzoic acid, UDP-glycosyltransferase 74F2, URIDINE-5'-DIPHOSPHATE, ...
Authors:George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J.
Deposit date:2017-03-04
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana.
Sci Rep, 7, 2017
7AWQ
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BU of 7awq by Molmil
Structure of the thermostabilized EAAT1 cryst-E386Q mutant in complex with L-ASP, sodium ions and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
3WZP
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BU of 3wzp by Molmil
Crystal structure of the core streptavidin mutant V21 (Y22S/N23D/S27D/Y83S/R84K/E101D/R103K/E116N) complexed with iminobiotin long tail (IMNtail) at 1.2 A resolution
Descriptor: 6-({5-[(2E,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid, GLYCEROL, Streptavidin
Authors:Kawato, T, Mizohata, E, Shimizu, Y, Meshizuka, T, Yamamoto, T, Takasu, N, Matsuoka, M, Matsumura, H, Tsumoto, K, Kodama, T, Kanai, M, Doi, H, Inoue, T, Sugiyama, A.
Deposit date:2014-10-01
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-based design of a streptavidin mutant specific for an artificial biotin analogue.
J.Biochem., 157, 2015
7AWN
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BU of 7awn by Molmil
Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
5UUT
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BU of 5uut by Molmil
N-myristoyltransferase 1 (NMT) bound to myristoyl-CoA
Descriptor: CITRIC ACID, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
Authors:Goodwin, O, Pegan, S.
Deposit date:2017-02-17
Release date:2018-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Blocking Myristoylation of Src Inhibits Its Kinase Activity and Suppresses Prostate Cancer Progression.
Cancer Res., 77, 2017
5V6O
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BU of 5v6o by Molmil
Crystal Structure of the highly open channel-stabilized mutant G-2'I + I9'A of GLIC
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ...
Authors:Gonzalez-Gutierrez, G, Grosman, C.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Chasing the open-state structure of pentameric ligand-gated ion channels.
J. Gen. Physiol., 149, 2017
3ZMH
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BU of 3zmh by Molmil
Structure of E.coli rhomboid protease GlpG in complex with monobactam L62
Descriptor: CHLORIDE ION, CYCLOPENTYL 2-OXO-4-PHENYLAZETIDINE-1-CARBOXYLATE, RHOMBOID PROTEASE GLPG, ...
Authors:Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M.
Deposit date:2013-02-11
Release date:2013-05-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of rhomboid protease in complex with beta-lactam inhibitors defines the S2' cavity.
Structure, 21, 2013
7ASN
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BU of 7asn by Molmil
Staphylococcus aureus 50S after 30 minutes incubation a 37C
Descriptor: 23S, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Cimicata, G, Bashan, A, Yonath, A.
Deposit date:2020-10-27
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Staphylococcus aureus 50S after 30 minutes incubation a 37C
To Be Published
3WYC
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BU of 3wyc by Molmil
Structure of a meso-diaminopimelate dehydrogenase in complex with NADP
Descriptor: 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sakuraba, H, Akita, H, Ohshima, T.
Deposit date:2014-08-25
Release date:2015-05-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural insight into the thermostable NADP(+)-dependent meso-diaminopimelate dehydrogenase from Ureibacillus thermosphaericus
Acta Crystallogr.,Sect.D, 71, 2015
3WZQ
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BU of 3wzq by Molmil
Crystal structure of the core streptavidin mutant V212 (Y22S/N23D/S27D/S45N/Y83S/R84K/E101D/R103K/E116N) complexed with iminobiotin long tail (IMNtail) at 1.7 A resolution
Descriptor: 6-({5-[(2E,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid, HEXAETHYLENE GLYCOL, Streptavidin
Authors:Kawato, T, Mizohata, E, Shimizu, Y, Meshizuka, T, Yamamoto, T, Takasu, N, Matsuoka, M, Matsumura, H, Tsumoto, K, Kodama, T, Kanai, M, Doi, H, Inoue, T, Sugiyama, A.
Deposit date:2014-10-01
Release date:2015-02-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of a streptavidin mutant specific for an artificial biotin analogue.
J.Biochem., 157, 2015
7B74
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BU of 7b74 by Molmil
Chimeric Streptavidin With A Dimerization Domain For Artificial Transfer Hydrogenation
Descriptor: Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2020-12-09
Release date:2021-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation.
Faraday Disc.Chem.Soc, 2023
7ASM
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BU of 7asm by Molmil
Staphylococcus aureus 50S after 30 minutes incubation at 37C
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Cimicata, G, Bashan, A, Yonath, A.
Deposit date:2020-10-27
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Staphylococcus aureus 50S after 30 minutes incubation a 37C
To Be Published
7AU6
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BU of 7au6 by Molmil
Cytochrome c oxidase structure in O-state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Kolbe, F, Safarian, S, Michel, H.
Deposit date:2020-11-02
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cytochrome c oxidase structure in O-state
To Be Published
7ATN
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BU of 7atn by Molmil
Cytochrome c oxidase structure in R-state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Kolbe, F, Safarian, S, Michel, H.
Deposit date:2020-10-30
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Cytochrome c oxidase structure in R-state
To Be Published
5V2C
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BU of 5v2c by Molmil
RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Wang, J, Wiwczar, J.M, Brudvig, G.W.
Deposit date:2017-03-03
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria.
Photosyn. Res., 134, 2017
7ATE
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BU of 7ate by Molmil
Cytochrome c oxidase structure in P-state
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ...
Authors:Kolbe, F, Safarian, S, Michel, H.
Deposit date:2020-10-30
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cytochrome c oxidase structure in P-state
To Be Published
7AU3
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BU of 7au3 by Molmil
Cytochrome c oxidase structure in F-state
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, CALCIUM ION, COPPER (II) ION, ...
Authors:Kolbe, F, Safarian, S, Michel, H.
Deposit date:2020-11-02
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Cytochrome c oxidase structure in F-state
To Be Published
5UNF
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BU of 5unf by Molmil
XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl])
Descriptor: Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
Authors:Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
Deposit date:2017-01-30
Release date:2017-04-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017

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