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3WGE
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BU of 3wge by Molmil
Crystal structure of ERp46 Trx2
Descriptor: GLYCEROL, Thioredoxin domain-containing protein 5
Authors:Inaba, K, Suzuki, M, Kojima, R.
Deposit date:2013-08-04
Release date:2014-06-25
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family
Structure, 22, 2014
2VU6
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BU of 2vu6 by Molmil
Atomic resolution (0.95 A) structure of purified Thaumatin I grown in sodium meso-tartrate at 19 C.
Descriptor: GLYCEROL, Thaumatin-1
Authors:Jakoncic, J, Asherie, N, Ginsberg, C.
Deposit date:2008-05-21
Release date:2009-07-14
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
3RY2
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BU of 3ry2 by Molmil
Wild-type core streptavidin-biotin complex at atomic resolution
Descriptor: BIOTIN, GLYCEROL, Streptavidin
Authors:Stenkamp, R.E, Le Trong, I, Stayton, P.S, Lybrand, T.P.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Streptavidin and its biotin complex at atomic resolution.
Acta Crystallogr.,Sect.D, 67, 2011
3X35
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BU of 3x35 by Molmil
Crystal structure of the reduced form of the solubilized domain of porcine cytochrome b5 in form 2 crystal
Descriptor: ACETATE ION, Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hirano, Y, Kimura, S, Tamada, T.
Deposit date:2015-01-14
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High-resolution crystal structures of the solubilized domain of porcine cytochrome b5.
Acta Crystallogr.,Sect.D, 71, 2015
2NX0
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BU of 2nx0 by Molmil
Ferrous nitrosyl blackfin tuna myoglobin
Descriptor: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Schreiter, E.R, Rodriguez, M.M, Weichsel, A, Montfort, W.R, Bonaventura, J.
Deposit date:2006-11-16
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:S-nitrosylation-induced conformational change in blackfin tuna myoglobin.
J.Biol.Chem., 282, 2007
6IIP
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BU of 6iip by Molmil
Apo-form structure of the HRP3 PWWP domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hepatoma-derived growth factor-related protein 3, SULFATE ION
Authors:Wang, Z, Tian, W.
Deposit date:2018-10-07
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.951 Å)
Cite:Apo-form structure of the HRP3 PWWP domain
Nucleic Acids Res., 2019
5E7W
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BU of 5e7w by Molmil
X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom
Descriptor: ACETATE ION, Insulin, N-PROPANOL, ...
Authors:Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C.
Deposit date:2015-10-13
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.9519 Å)
Cite:Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.
Chem Cent J, 11, 2017
5OUK
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BU of 5ouk by Molmil
Crystal structure of human AKR1B1 complexed with NADP+ and compound 41
Descriptor: 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A.
Deposit date:2017-08-24
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
6I74
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BU of 6i74 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6RKN
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BU of 6rkn by Molmil
Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide.
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-FLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-04-30
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
3KFF
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BU of 3kff by Molmil
Major mouse urinary protein IV complexed with 2-sec-butyl-4,5-dihydrothiazole
Descriptor: 2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, CHLORIDE ION, ...
Authors:Perez-Miller, S, Zou, Q, Hurley, T.D.
Deposit date:2009-10-27
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
3AGN
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BU of 3agn by Molmil
Crystal Structure of Ustilago sphaerogena Ribonuclease U2 Complexed with adenosine 3'-monophosphate
Descriptor: CALCIUM ION, Ribonuclease U2, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Authors:Noguchi, S.
Deposit date:2010-04-03
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Isomerization mechanism of aspartate to isoaspartate implied by structures of Ustilago sphaerogena ribonuclease U2 complexed with adenosine 3'-monophosphate
Acta Crystallogr.,Sect.D, 66, 2010
8B3R
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BU of 8b3r by Molmil
Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-09-16
Release date:2023-09-27
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
5MOS
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BU of 5mos by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
Authors:Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
6J60
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BU of 6j60 by Molmil
hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
Descriptor: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
Authors:Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
Deposit date:2019-01-12
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.96 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
3O5Q
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BU of 3o5q by Molmil
Fk1 domain mutant A19T of FKBP51, crystal form IV, in presence of DMSO
Descriptor: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Bracher, A, Kozany, C, Thost, A.-K, Hausch, F.
Deposit date:2010-07-28
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90.
Acta Crystallogr.,Sect.D, 67, 2011
7X4J
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BU of 7x4j by Molmil
The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2022-03-02
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic acid
To Be Published
6JPT
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BU of 6jpt by Molmil
Crystal structure of human PAC3 homodimer (trigonal form)
Descriptor: POTASSIUM ION, Proteasome assembly chaperone 3, THIOCYANATE ION
Authors:Satoh, T, Yagi-Utsumi, M, Okamoto, K, Kurimoto, E, Tanaka, K, Kato, K.
Deposit date:2019-03-27
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Molecular and Structural Basis of the Proteasome alpha Subunit Assembly Mechanism Mediated by the Proteasome-Assembling Chaperone PAC3-PAC4 Heterodimer.
Int J Mol Sci, 20, 2019
1U2H
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BU of 1u2h by Molmil
X-ray Structure of the N-terminally truncated human APEP-1
Descriptor: Aortic preferentially expressed protein 1
Authors:Manjasetty, B.A, Scheich, C, Roske, Y, Niesen, F.H, Gotz, F, Bussow, K, Heinemann, U.
Deposit date:2004-07-19
Release date:2005-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:X-ray structure of engineered human Aortic Preferentially Expressed Protein-1 (APEG-1)
Bmc Struct.Biol., 5, 2005
5MNO
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BU of 5mno by Molmil
Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K)
Descriptor: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5JUG
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BU of 5jug by Molmil
Structure of an inactive (E45Q) variant of a beta-1,4-mannanase, SsGH134, in complex with Man5
Descriptor: CHLORIDE ION, GLYCEROL, alpha-D-mannopyranose, ...
Authors:Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
Deposit date:2016-05-10
Release date:2016-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
4R5R
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BU of 4r5r by Molmil
Crystal structure of Rhodostomin KKKRT mutant
Descriptor: Disintegrin rhodostomin
Authors:Huang, C.H, Shiu, J.H, Chang, Y.T, Jeng, W.Y, Chuang, W.J.
Deposit date:2014-08-21
Release date:2015-08-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Effects of the regions adjacent to the RGD motif in disintegrins on their inhibitory activities and structures
To be Published
1LUQ
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BU of 1luq by Molmil
Full Matrix Error Analysis of Streptavidin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BIOTIN, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Full Matrix Error Analysis of Streptavidin
To be Published
4F18
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BU of 4f18 by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with arsenate at pH 8.5
Descriptor: Putative alkaline phosphatase, hydrogen arsenate
Authors:Elias, M, Wellner, A, Goldin, K, Chabriere, E, Tawfik, D.S.
Deposit date:2012-05-06
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
8AQP
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BU of 8aqp by Molmil
Structure of Human Aldose Reductase Mutant A299G/L300A with a Citrate Molecule Bound in the Anion Binding Pocket
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Hubert, L.-S, Heine, A, Klebe, G.
Deposit date:2022-08-13
Release date:2023-08-23
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Structure of Human Aldose Reductase Mutant A299G/L300A with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published

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