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4ZSU
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BU of 4zsu by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-14
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
2RIU
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BU of 2riu by Molmil
Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
8TXS
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BU of 8txs by Molmil
Solution NMR structure of designed peptide BH26 (RGVTVPHNGESKDYSV)
Descriptor: BH26 peptide
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-08-24
Release date:2023-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
5MPR
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BU of 5mpr by Molmil
Single Amino Acid Variant of Human Mitochondrial Branched Chain Amino Acid Aminotransferase 2
Descriptor: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
Authors:Hakansson, M, Walse, B, Nilsson, C, Anderson, L.C.
Deposit date:2016-12-18
Release date:2017-07-19
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Intact Protein Analysis at 21 Tesla and X-Ray Crystallography Define Structural Differences in Single Amino Acid Variants of Human Mitochondrial Branched-Chain Amino Acid Aminotransferase 2 (BCAT2).
J. Am. Soc. Mass Spectrom., 28, 2017
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7NW2
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BU of 7nw2 by Molmil
Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor.
Cell Chem Biol, 28, 2021
7D2B
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BU of 7d2b by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with a Ni ion bound to the active site
Descriptor: Glutaminyl-peptide cyclotransferase, NICKEL (II) ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-16
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1Y
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BU of 7d1y by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with two Co ions bound to the active site
Descriptor: COBALT (II) ION, Glutaminyl-peptide cyclotransferase
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-15
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D2I
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BU of 7d2i by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with a Fe ion bound to the active site
Descriptor: FE (III) ION, Glutaminyl-peptide cyclotransferase, SULFATE ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-16
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D23
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BU of 7d23 by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with one K ion bound to the active site
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutaminyl-peptide cyclotransferase, POTASSIUM ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-15
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1P
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BU of 7d1p by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cd ions bound to the active site
Descriptor: BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-15
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D21
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BU of 7d21 by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with two Zn ions bound to the active site
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-15
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1N
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BU of 7d1n by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cu ions bound to the active site
Descriptor: BICARBONATE ION, COPPER (II) ION, Glutaminyl-peptide cyclotransferase
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-15
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D1H
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BU of 7d1h by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with D238A mutation
Descriptor: Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D2J
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BU of 7d2j by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with a Cd ion bound to the active site
Descriptor: BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-16
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7D2D
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BU of 7d2d by Molmil
Crystal structure of Ixodes scapularis glutaminyl cyclase with a Mn ion bound to the active site
Descriptor: Glutaminyl-peptide cyclotransferase, MANGANESE (II) ION
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-16
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
7EZC
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BU of 7ezc by Molmil
Adenosine A2a receptor mutant-I92N
Descriptor: 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,Soluble cytochrome b562
Authors:Cui, M, Zhou, Q, Yao, D, Zhao, S, Song, G.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of a constitutive active mutant of adenosine A 2A receptor.
Iucrj, 9, 2022
2OSN
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BU of 2osn by Molmil
An alternate description of a crystal structure of phospholipase A2 from Bungarus caeruleus
Descriptor: CHLORIDE ION, Phospholipase A2 isoform 3
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-02-06
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate description of two crystal structures of phospholipase A(2) from Bungarus caeruleus.
Acta Crystallogr.,Sect.D, 63, 2007
5ZE8
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BU of 5ze8 by Molmil
Crystal structure of a penta-heme cytochrome c552 from Thermochromatium tepidum
Descriptor: GLYCEROL, HEME C, SULFATE ION, ...
Authors:Yu, L.-J, Chen, J.-H, Shen, J.-R.
Deposit date:2018-02-27
Release date:2018-04-25
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Properties and structure of a low-potential, penta-heme cytochrome c552from a thermophilic purple sulfur photosynthetic bacterium Thermochromatium tepidum.
Photosyn. Res., 139, 2019
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
4EXO
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BU of 4exo by Molmil
Revised, rerefined crystal structure of PDB entry 2QHK, methyl accepting chemotaxis protein
Descriptor: Methyl-accepting chemotaxis protein, PYRUVIC ACID
Authors:Sweeney, E.G, Henderson, J.N, Goers, J, Wreden, C, Hicks, K.G, Foster, J.K, Parthasarathy, R, Remington, S.J, Guillemin, K.
Deposit date:2012-04-30
Release date:2012-05-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Proposed Mechanism for the pH-Sensing Helicobacter pylori Chemoreceptor TlpB.
Structure, 20, 2012
2QTY
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BU of 2qty by Molmil
Crystal Structure of mouse ADP-ribosylhydrolase 3 (mARH3)
Descriptor: MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3
Authors:Mueller-Dieckmann, C.
Deposit date:2007-08-03
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of mouse ADP-ribosylhydrolase 3 (mARH3).
Acta Crystallogr.,Sect.F, 64, 2008
6TYR
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BU of 6tyr by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with a close conformation of its beta-hairpin
Descriptor: CITRIC ACID, COPPER (II) ION, GLYCEROL, ...
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2019-08-09
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:The beta-hairpin from the Thermus thermophilus HB27 laccase works as a pH-dependent switch to regulate laccase activity.
J.Struct.Biol., 213, 2021
7RHO
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BU of 7rho by Molmil
Human IgG1 Fc fragment, hinge-free, expressed in E. coli
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fc fragment of human IgG1
Authors:Gallagher, D.T.
Deposit date:2021-07-18
Release date:2022-11-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effects of glycans and hinge on dynamics in the IgG1 Fc.
J.Biomol.Struct.Dyn., 2023
7A5U
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BU of 7a5u by Molmil
Structure of E37A BlaC from Mycobacterium tuberculosis
Descriptor: Beta-lactamase
Authors:Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M.
Deposit date:2020-08-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conserved residues Glu37 and Trp229 play an essential role in protein folding of beta-lactamase.
Febs J., 288, 2021

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