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3TPP
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BU of 3tpp by Molmil
Crystal structure of BACE1 complexed with an inhibitor
Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ...
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPJ
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BU of 3tpj by Molmil
APO structure of BACE1
Descriptor: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
5K9H
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BU of 5k9h by Molmil
Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium
Descriptor: 0940_GH29, GLYCEROL, SODIUM ION, ...
Authors:Summers, E.L, Arcus, V.L.
Deposit date:2016-05-31
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains.
Acta Crystallogr.,Sect.F, 72, 2016
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
6CYV
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BU of 6cyv by Molmil
E. coli DHFR ternary complex with NADP and dihydrofolate
Descriptor: DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
Deposit date:2018-04-06
Release date:2019-01-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
6CXK
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BU of 6cxk by Molmil
E. coli DHFR substrate complex with Dihydrofolate
Descriptor: CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ...
Authors:Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
Deposit date:2018-04-03
Release date:2019-01-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.108 Å)
Cite:The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
5VLX
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BU of 5vlx by Molmil
Dehaloperoxidase B mutant F21W
Descriptor: Dehaloperoxidase B, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2017-04-26
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective tuning of activity in a multifunctional enzyme as revealed in the F21W mutant of dehaloperoxidase B from Amphitrite ornata.
J. Biol. Inorg. Chem., 23, 2018
7M3T
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BU of 7m3t by Molmil
Crystallographic structure of a cubic crystal of STMV (80.7 degree rotation about 111) grown from chloride
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-19
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7M50
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BU of 7m50 by Molmil
Crystallographic structure of a cubic crystal form of STMV grown from ammonium sulfate
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-22
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7M2V
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BU of 7m2v by Molmil
Crystallographic Structure of the Rhombohedral Crystal Form of STMV Grown from Chloride
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-17
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7M57
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BU of 7m57 by Molmil
Crystallographic structure of a primitive orthorhombic crystal form of STMV
Descriptor: Coat protein, PHOSPHATE ION, RNA (27-mer), ...
Authors:McPherson, A.
Deposit date:2021-03-22
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
1LV4
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BU of 1lv4 by Molmil
Human catestatin 21-mer
Descriptor: catestatin
Authors:O'Connor, D.T, Preece, N.E.
Deposit date:2002-05-24
Release date:2002-06-19
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Conformational preferences and activities of peptides from the catecholamine release-inhibitory (catestatin) region of chromogranin A.
Regul.Pept., 118, 2004
7R0T
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BU of 7r0t by Molmil
Crystal structure of exonuclease ExnV1
Descriptor: CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ...
Authors:Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J.
Deposit date:2022-02-02
Release date:2022-11-02
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
7M3R
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BU of 7m3r by Molmil
Crystallographic Structure of the Rhombohedral Crystal Form of STMV Grown from Bromide
Descriptor: BROMIDE ION, Coat protein, MAGNESIUM ION
Authors:McPherson, A.
Deposit date:2021-03-18
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7M54
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BU of 7m54 by Molmil
Crystallographic structure of a cubic crystal form of STMV grown from bromide
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:McPherson, A.
Deposit date:2021-03-22
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
1L7D
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BU of 1l7d by Molmil
Crystal Structure of R. rubrum Transhydrogenase Domain I without Bound NAD(H)
Descriptor: nicotinamide nucleotide Transhydrogenase, subunit alpha 1
Authors:Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D.
Deposit date:2002-03-14
Release date:2002-11-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structures of Transhydrogenase Domain I with and without Bound NADH
Biochemistry, 41, 2002
6CXD
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BU of 6cxd by Molmil
Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution
Descriptor: Peptidase B, SULFATE ION
Authors:Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-02
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
5UXY
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BU of 5uxy by Molmil
The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid)
Descriptor: ACETIC ACID, DegV family protein, SODIUM ION, ...
Authors:Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
Deposit date:2017-02-23
Release date:2018-11-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
7R0K
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BU of 7r0k by Molmil
Crystal structure of Polymerase I from phage G20c
Descriptor: DNA polymerase I
Authors:Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J.
Deposit date:2022-02-02
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
2FDO
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BU of 2fdo by Molmil
Crystal Structure of the Conserved Protein of Unknown Function AF2331 from Archaeoglobus fulgidus DSM 4304 Reveals a New Type of Alpha/Beta Fold
Descriptor: Hypothetical protein AF2331
Authors:Wang, S, Kirillova, O, Chruszcz, M, Cymborowski, M.T, Skarina, T, Gorodichtchenskaia, E, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-12-14
Release date:2006-01-31
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the AF2331 protein from Archaeoglobus fulgidus DSM 4304 forms an unusual interdigitated dimer with a new type of alpha + beta fold.
Protein Sci., 18, 2009
6Q29
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BU of 6q29 by Molmil
Crystal structure of Laccase from Thermus thermophilus HB27 with an open conformation of beta-hairpin (Average deposted dose 2.5 MGy)
Descriptor: COPPER (II) ION, Laccase, TETRAETHYLENE GLYCOL, ...
Authors:Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2019-08-07
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.702 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
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-08-18
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
1L9P
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BU of 1l9p by Molmil
CRYSTAL STRUCTURE OF NITRITE SOAKED I257G VARIANT OF THE COPPER-CONTAINING NITRITE REDUCTASE FROM ALCALIGENES FAECALIES S-6
Descriptor: COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION
Authors:Boulanger, M.J, Murphy, M.E.P.
Deposit date:2002-03-26
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Directing the mode of nitrite binding to a copper-containing nitrite reductase from Alcaligenes faecalis S-6: Characterization of an active site isoleucine
PROTEIN SCI., 12, 2003
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
Authors:Lambert, M.C, Hall, J.P.
Deposit date:2022-08-19
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
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