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4WEV
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BU of 4wev by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and sulindac
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Crespo, I, Porte, S, Pares, X, Farres, J, Podjarny, A.
Deposit date:2014-09-11
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.453 Å)
Cite:Structural analysis of sulindac as an inhibitor of aldose reductase and AKR1B10.
Chem.Biol.Interact., 234, 2015
4WKA
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BU of 4wka by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution
Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-02
Release date:2015-07-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
3FUB
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BU of 3fub by Molmil
Crystal structure of GDNF-GFRalpha1 complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Parkash, V, Goldman, A.
Deposit date:2009-01-14
Release date:2009-06-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Comparison of GFL-GFRalpha complexes: further evidence relating GFL bend angle to RET signalling
Acta Crystallogr.,Sect.F, 65, 2009
6XSV
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BU of 6xsv by Molmil
X-ray structure of a tetragonal crystal form of alpha amylase from Aspergillus oryzae (Tala-Amylase) at 1.65 A resolution
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
Authors:McPherson, A.
Deposit date:2020-07-16
Release date:2020-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of two novel crystal forms of Aspergillus oryzae alpha amylase (taka-amylase).
J.Biosci.Bioeng., 131, 2021
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
Authors:Hoffmann, K.M, Rowlett, R.S.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WAM
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BU of 4wam by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
Descriptor: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
Authors:Rowlett, R.S, Hoffman, K.M.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
7PJD
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BU of 7pjd by Molmil
The X-ray structure of juvenile hormone diol kinase from the silk worm Bombyx mori.
Descriptor: CALCIUM ION, Juvenile hormone diol kinase
Authors:Guo, J, Cooper, J, Keegan, R.M.
Deposit date:2021-08-23
Release date:2021-12-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The X-ray structure of juvenile hormone diol kinase from the silkworm Bombyx mori.
Acta Crystallogr.,Sect.F, 77, 2021
4WU0
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BU of 4wu0 by Molmil
Structural Analysis of C. acetobutylicum ATCC 824 Glycoside Hydrolase From Family 105
Descriptor: Similar to yteR (Bacilus subtilis)
Authors:Germane, K.L, Servinsky, M.D, Gerlach, E.S, Sund, C.J, Hurley, M.M.
Deposit date:2014-10-30
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of Clostridium acetobutylicum ATCC 824 glycoside hydrolase from CAZy family GH105.
Acta Crystallogr.,Sect.F, 71, 2015
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Loll, B.
Deposit date:2021-08-16
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
6XPT
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BU of 6xpt by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to UDP
Descriptor: MAGNESIUM ION, Nucleoside diphosphate kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6XP4
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BU of 6xp4 by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293
Descriptor: Nucleoside diphosphate kinase
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-07
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6XPS
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BU of 6xps by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-08
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6XPW
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BU of 6xpw by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase, PHOSPHATE ION
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6XPV
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BU of 6xpv by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to dTDP
Descriptor: Nucleoside diphosphate kinase, THYMIDINE-5'-DIPHOSPHATE
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6XP7
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BU of 6xp7 by Molmil
Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase
Authors:Nguyen, S, Bruning, J.B.
Deposit date:2020-07-08
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
6NQY
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BU of 6nqy by Molmil
Flagellar protein FcpA from Leptospira biflexa / ab-centered monoclinic form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Flagellar coiling protein A, ...
Authors:Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete.
Elife, 9, 2020
6NQX
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BU of 6nqx by Molmil
Flagellar protein FcpA from Leptospira biflexa / primitive monoclinic form
Descriptor: Flagellar coiling protein A, GLYCEROL
Authors:Mechaly, A, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete
Elife, 9, 2020
6NQW
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BU of 6nqw by Molmil
Flagellar protein FcpA from Leptospira biflexa - hexagonal form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Flagellar coiling protein A, GLYCEROL, ...
Authors:San Martin, F, Trajtenberg, F, Larrieux, N, Buschiazzo, A.
Deposit date:2019-01-22
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete
Elife, 9, 2020
7P8O
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BU of 7p8o by Molmil
Crystal structure of D-aminoacid transaminase from Haliscomenobacter hydrossis in its intermediate form
Descriptor: Aminotransferase class IV, MAGNESIUM ION, SULFATE ION
Authors:Matyuta, I.O, Boyko, K.M, Bakunova, A.K, Nikolaeva, A.Y, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2021-07-23
Release date:2022-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Incorporation of pyridoxal-5'-phosphate into the apoenzyme: A structural study of D-amino acid transaminase from Haliscomenobacter hydrossis.
Biochim Biophys Acta Proteins Proteom, 1873, 2024
5E4J
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BU of 5e4j by Molmil
Acetylcholinesterase Methylene Blue no PEG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ...
Authors:Dym, O.
Deposit date:2015-10-06
Release date:2016-03-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
5W8W
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BU of 5w8w by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement
Descriptor: Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J.
Deposit date:2017-06-22
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
5E2I
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BU of 5e2i by Molmil
Acetylcholinesterase Methylene Blue no PEG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ...
Authors:Dym, O.
Deposit date:2015-10-01
Release date:2016-03-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTO
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BU of 6uto by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6NMU
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BU of 6nmu by Molmil
Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019

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