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5FOG
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BU of 5fog by Molmil
Crystal structure of hte Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of norvaline (Nv2AA)
Descriptor: 1,2-ETHANEDIOL, 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, ...
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:2015-11-20
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5W6E
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BU of 5w6e by Molmil
PDE1b complexed with compound 3S
Descriptor: 7,8-dimethoxy-N-[(2S)-1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ...
Authors:Vajdos, F.F.
Deposit date:2017-06-16
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1.
J. Med. Chem., 61, 2018
3TLH
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BU of 3tlh by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR
Descriptor: PROTEIN (PROTEASE), benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-03
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
8GC8
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BU of 8gc8 by Molmil
Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, Tyrosine-protein kinase BTK
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8GC7
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BU of 8gc7 by Molmil
Bruton's tyrosine kinase in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S.
Deposit date:2023-03-01
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinase-impaired BTK mutations are susceptible to clinical-stage BTK and IKZF1/3 degrader NX-2127.
Science, 383, 2024
8JAZ
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BU of 8jaz by Molmil
Structure of the alginate epimerase/lyase complexed with di-mannuronic acid
Descriptor: CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, mannuronan 5-epimerase
Authors:Fujiwara, T.
Deposit date:2023-05-07
Release date:2024-05-08
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Febs Lett., 598, 2024
7BEZ
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BU of 7bez by Molmil
Zinc bound domain 3 of carbonic anhydrase from marine diatom Thalassiosira weissflogii
Descriptor: Cadmium-specific carbonic anhydrase, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2021-01-06
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Zeta-carbonic anhydrases show CS 2 hydrolase activity: A new metabolic carbon acquisition pathway in diatoms?
Comput Struct Biotechnol J, 19, 2021
7BF0
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BU of 7bf0 by Molmil
Zn-bound domain 3 of CDCA1 in complex with carbon dioxide
Descriptor: CARBON DIOXIDE, CHLORIDE ION, Cadmium-specific carbonic anhydrase, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2020-12-30
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Zeta-carbonic anhydrases show CS 2 hydrolase activity: A new metabolic carbon acquisition pathway in diatoms?
Comput Struct Biotechnol J, 19, 2021
8JA4
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BU of 8ja4 by Molmil
Structure of the alginate epimerase/lyase
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
Authors:Fujiwara, T.
Deposit date:2023-05-05
Release date:2024-05-08
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Febs Lett., 598, 2024
8JA6
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BU of 8ja6 by Molmil
Structure of the alginate epimerase/lyase complexed with tri-mannuronic acid
Descriptor: ACETATE ION, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, ...
Authors:Fujiwara, T.
Deposit date:2023-05-05
Release date:2024-05-08
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Febs Lett., 598, 2024
5YCX
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BU of 5ycx by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with c-terminal His tag (Apo form)
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Authors:Kim, H.T.
Deposit date:2017-09-08
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Structural insights into the dimer-tetramer transition of FabI from Bacillus anthracis
Biochem. Biophys. Res. Commun., 493, 2017
5JOO
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BU of 5joo by Molmil
XFEL structure of influenza A M2 wild type TM domain at low pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-05-02
Release date:2017-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5Y5H
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BU of 5y5h by Molmil
SF-ROX structure of cytochrome P450nor (NO-bound state) determined at SACLA
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Yamagiwa, R, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Yamashita, A, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
6BKB
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BU of 6bkb by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3A heavy chain, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2017-11-08
Release date:2018-12-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
6BKC
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BU of 6bkc by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3B heavy chain, Fab AR3B light chain, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2017-11-08
Release date:2018-12-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
7Q7Q
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BU of 7q7q by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
Authors:Baath, P, Banacore, A, Neutze, R.
Deposit date:2021-11-09
Release date:2022-06-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
7Q7P
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BU of 7q7p by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
Authors:Baath, P, Banacore, A, Neutze, R.
Deposit date:2021-11-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
5YCS
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BU of 5ycs by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with triclosan
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Kim, H.T.
Deposit date:2017-09-08
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the dimer-tetramer transition of FabI from Bacillus anthracis
Biochem. Biophys. Res. Commun., 493, 2017
5Y5G
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BU of 5y5g by Molmil
Structure of cytochrome P450nor in NO-bound state: damaged by high-dose (5.7 MGy) X-ray
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
7ZW9
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BU of 7zw9 by Molmil
Crystal structure of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei
Descriptor: BETA-MERCAPTOETHANOL, Bacterial transferase hexapeptide family protein, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2022-05-19
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical, structural, and computational studies of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei.
Comput Struct Biotechnol J, 20, 2022
5YCR
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BU of 5ycr by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with NAD+
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Kim, H.T.
Deposit date:2017-09-08
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insights into the dimer-tetramer transition of FabI from Bacillus anthracis
Biochem. Biophys. Res. Commun., 493, 2017
5YCV
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BU of 5ycv by Molmil
X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis (Apo form)
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Authors:Kim, H.T.
Deposit date:2017-09-08
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structural insights into the dimer-tetramer transition of FabI from Bacillus anthracis
Biochem. Biophys. Res. Commun., 493, 2017
7ZY3
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BU of 7zy3 by Molmil
Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation
Descriptor: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
Authors:Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F.
Deposit date:2022-05-23
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
8A2P
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BU of 8a2p by Molmil
Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography
Descriptor: 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
8A2O
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BU of 8a2o by Molmil
Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
Authors:Moraes, I, Kwan, T.O.C, Axford, D.
Deposit date:2022-06-06
Release date:2023-08-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023

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