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2NRL
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BU of 2nrl by Molmil
Blackfin tuna myoglobin
Descriptor: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Schreiter, E.R, Rodr guez, M.M, Weichsel, A, Montfort, W.R, Bonaventura, J.
Deposit date:2006-11-02
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:S-nitrosylation-induced conformational change in blackfin tuna myoglobin.
J.Biol.Chem., 282, 2007
5BR4
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BU of 5br4 by Molmil
E. coli lactaldehyde reductase (FucO) M185C mutant
Descriptor: CHLORIDE ION, GLYCEROL, Lactaldehyde reductase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2015-05-29
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Mutations in adenine-binding pockets enhance catalytic properties of NAD(P)H-dependent enzymes.
Protein Eng.Des.Sel., 29, 2016
3G46
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BU of 3g46 by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
Deposit date:2009-02-03
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
3X0I
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BU of 3x0i by Molmil
ADP ribose pyrophosphatase in apo state at 0.91 angstrom resolution
Descriptor: ADP-ribose pyrophosphatase, GLYCEROL, SULFATE ION
Authors:Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N.
Deposit date:2014-10-16
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors
Biochemistry, 55, 2016
2PVB
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BU of 2pvb by Molmil
PIKE PARVALBUMIN (PI 4.10) AT LOW TEMPERATURE (100K) AND ATOMIC RESOLUTION (0.91 A).
Descriptor: AMMONIUM ION, CALCIUM ION, FORMIC ACID, ...
Authors:Declercq, J.P, Evrard, C.
Deposit date:1998-10-02
Release date:1998-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Crystal structure of the EF-hand parvalbumin at atomic resolution (0.91 A) and at low temperature (100 K). Evidence for conformational multistates within the hydrophobic core.
Protein Sci., 8, 1999
3QM5
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BU of 3qm5 by Molmil
Blackfin tuna oxy-myoglobin, atomic resolution
Descriptor: 1,2-ETHANEDIOL, Myoglobin, OXYGEN MOLECULE, ...
Authors:de Serrano, V.S, Rodriguez, M.M, Schreiter, E.R.
Deposit date:2011-02-03
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:High Resolution Structures of Blackfin Tuna Myoglobin
To be Published
3QM9
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BU of 3qm9 by Molmil
Blackfin tuna azido-myoglobin, atomic resolution
Descriptor: 1,2-ETHANEDIOL, AZIDE ION, Myoglobin, ...
Authors:de Serrano, V.S, Rodriguez, M.M, Schreiter, E.R.
Deposit date:2011-02-03
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:High Resolution Structures of Blackfin Tuna Myoglobin
To be Published
5MNC
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BU of 5mnc by Molmil
Cationic trypsin in complex with aniline (deuterated sample at 100 K)
Descriptor: ANILINE, CALCIUM ION, Cationic trypsin, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.916 Å)
Cite:Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
9EN6
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BU of 9en6 by Molmil
Crystal structure of RNA G2C4 repeats - native model pH 6.5
Descriptor: MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
Authors:Mateja-Pluta, M, Kiliszek, A.
Deposit date:2024-03-12
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (0.918 Å)
Cite:Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 2024
5XSB
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BU of 5xsb by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-13
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.918 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5R2D
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BU of 5r2d by Molmil
PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H11, DMSO-free
Descriptor: 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-13
Release date:2020-06-03
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (0.919 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
7AEY
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BU of 7aey by Molmil
Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
Descriptor: (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ...
Authors:Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F.
Deposit date:2020-09-18
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.919 Å)
Cite:Salmonella typhimurium neuraminidase in complex with isocarba-DANA.
To Be Published
5R39
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BU of 5r39 by Molmil
PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 33, DMSO-Free
Descriptor: Endothiapepsin
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-13
Release date:2020-06-03
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (0.919 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5MK9
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BU of 5mk9 by Molmil
Maltodextrin binding protein MalE1 from L. casei BL23 bound to beta-cyclodextrin
Descriptor: CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), MalE1
Authors:Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E.
Deposit date:2016-12-02
Release date:2017-07-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.919 Å)
Cite:Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
4HNO
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BU of 4hno by Molmil
High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A.
Deposit date:2012-10-20
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.9194 Å)
Cite:Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
4G78
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BU of 4g78 by Molmil
Subatomic Resolution Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt2 from Medicago truncatula
Descriptor: Histidine phosphotransfer protein
Authors:Ruszkowski, M, Sikorski, M, Jaskolski, M.
Deposit date:2012-07-20
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Subatomic Resolution Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt2 from Medicago truncatula
To be Published
2QDW
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BU of 2qdw by Molmil
Structure of Cu(I) form of the M51A mutant of amicyanin
Descriptor: Amicyanin, COPPER (I) ION, PHOSPHATE ION
Authors:Ma, J.K, Wang, Y, Carrell, C.J, Mathews, F.S, Davidson, V.L.
Deposit date:2007-06-21
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:A single methionine residue dictates the kinetic mechanism of interprotein electron transfer from methylamine dehydrogenase to amicyanin.
Biochemistry, 46, 2007
7V5U
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BU of 7v5u by Molmil
The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with 2-cyclohexadecylacetic acid (CYC16AA)
Descriptor: 2-cyclohexadecylethanoic acid, Fatty acid-binding protein, heart, ...
Authors:Sugiyama, S, Kakinouchi, K, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2021-08-18
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with 2-cyclohexadecylacetic acid (CYC16AA)
To Be Published
2FVY
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BU of 2fvy by Molmil
High Resolution Glucose Bound Crystal Structure of GGBP
Descriptor: ACETATE ION, CALCIUM ION, CARBON DIOXIDE, ...
Authors:Borrok, M.J, Kiessling, L.L, Forest, K.T.
Deposit date:2006-01-31
Release date:2007-02-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Conformational changes of glucose/galactose-binding protein illuminated by open, unliganded, and ultra-high-resolution ligand-bound structures.
Protein Sci., 16, 2007
3EA6
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BU of 3ea6 by Molmil
Atomic resolution of crystal structure of SEK
Descriptor: IODIDE ION, Staphylococcal enterotoxin K, ZINC ION
Authors:Shi, K, Huseby, M, Schlievert, P.M, Ohlendorf, D.H, Earhart, C.A.
Deposit date:2008-08-24
Release date:2009-06-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Structural Studies of an Emerging Pyrogenic Superantigen, SEK
To be Published
6EQE
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BU of 6eqe by Molmil
High resolution crystal structure of a polyethylene terephthalate degrading hydrolase from Ideonella sakaiensis
Descriptor: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION
Authors:Austin, H.P, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E.
Deposit date:2017-10-12
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Characterization and engineering of a plastic-degrading aromatic polyesterase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2G6F
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BU of 2g6f by Molmil
Crystal Structure of the SH3 Domain of betaPIX in Complex with a High Affinity Peptide from PAK2
Descriptor: COBALT HEXAMMINE(III), Rho guanine nucleotide exchange factor 7
Authors:Hoelz, A.
Deposit date:2006-02-24
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Crystal Structure of the SH3 Domain of betaPIX in Complex with a High Affinity Peptide from PAK2
J.Mol.Biol., 358, 2006
3GYJ
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BU of 3gyj by Molmil
Cholesterol oxidase from Streptomyces sp. N485L mutant (0.92A)
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Lyubimov, A.Y, Vrielink, A.
Deposit date:2009-04-03
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:A hydrogen-bonding network is important for oxidation and isomerization in the reaction catalyzed by cholesterol oxidase.
Acta Crystallogr.,Sect.D, 65, 2009
1N4W
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BU of 1n4w by Molmil
ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.3 (STREPTOMYCES SP. SA-COO)
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Vrielink, A, Lario, P.I.
Deposit date:2002-11-01
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Atomic resolution crystallography reveals how changes in pH shape the protein microenvironment
Nat.Chem.Biol., 2, 2006
7YRK
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BU of 7yrk by Molmil
Crystal structure of the hen egg lysozyme-2-oxidobenzylidene-threoninato-copper (II) complex
Descriptor: (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Unno, M, Furuya, T, Kitanishi, K, Akitsu, T.
Deposit date:2022-08-10
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:A novel hybrid protein composed of superoxide-dismutase-active Cu(II) complex and lysozyme.
Sci Rep, 13, 2023

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