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3QPA
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BU of 3qpa by Molmil
Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
Descriptor: Cutinase
Authors:Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X.
Deposit date:2011-02-11
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
To be Published
4PTH
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BU of 4pth by Molmil
Ensemble model for Escherichia coli dihydrofolate reductase at 100K
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
Deposit date:2014-03-10
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
1M40
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BU of 1m40 by Molmil
ULTRA HIGH RESOLUTION CRYSTAL STRUCTURE OF TEM-1
Descriptor: BETA-LACTAMASE TEM, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ...
Authors:Minasov, G, Wang, X, Shoichet, B.K.
Deposit date:2002-07-01
Release date:2002-07-17
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:An ultrahigh resolution structure of TEM-1 beta-lactamase suggests a role for Glu166 as the general base in acylation.
J.Am.Chem.Soc., 124, 2002
4PSY
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BU of 4psy by Molmil
100K crystal structure of Escherichia coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
Deposit date:2014-03-08
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
7WCI
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BU of 7wci by Molmil
The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Kakinouchi, K, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid
To Be Published
1MC2
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BU of 1mc2 by Molmil
monomeric LYS-49 phospholipase A2 homologue purified from AG
Descriptor: Acutohaemonlysin, ISOPROPYL ALCOHOL
Authors:Liu, Q, Huang, Q.Q, Zhang, R.G, Weeks, C.M, Jelsch, C, Teng, M.K, Niu, L.W.
Deposit date:2002-08-05
Release date:2002-08-21
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The crystal structure of a novel, inactive, lysine 49 PLA2 from Agkistrodon acutus venom: an ultrahigh resolution, AB initio structure determination
J.Biol.Chem., 278, 2003
4LAZ
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BU of 4laz by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
Deposit date:2013-06-20
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
2F01
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BU of 2f01 by Molmil
Epi-biotin complex with core streptavidin
Descriptor: BIOTIN, EPI-BIOTIN, GLYCEROL, ...
Authors:Le Trong, I, Aubert, D.G, Thomas, N.R, Stenkamp, R.E.
Deposit date:2005-11-10
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The high-resolution structure of (+)-epi-biotin bound to streptavidin.
Acta Crystallogr.,Sect.D, 62, 2006
5VLE
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BU of 5vle by Molmil
Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Lewandowski, E.M, Chen, Y.
Deposit date:2017-04-25
Release date:2017-11-08
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Mechanisms of proton relay and product release by Class A beta-lactamase at ultrahigh resolution.
FEBS J., 285, 2018
2FMA
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BU of 2fma by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'small unit cell' form, atomic resolution
Descriptor: Amyloid beta A4 protein precursor, GLYCEROL
Authors:Kong, G.K.-W.
Deposit date:2006-01-08
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure of Alzheimer's disease amyloid precursor protein copper-binding domain at atomic resolution.
Acta Crystallogr.,Sect.F, 63, 2007
5MRX
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BU of 5mrx by Molmil
27-nt SRL with a 5-hydroxymethyl cytidine modification
Descriptor: RNA (27-MER)
Authors:Ennifar, E, Micura, R.
Deposit date:2016-12-28
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:Synthesis, Thermodynamic Properties, and Crystal Structure of RNA Oligonucleotides Containing 5-Hydroxymethylcytosine
J.Org.Chem., 2017
5NQI
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BU of 5nqi by Molmil
E.coli 16S rRNA Sarcin-Ricin Loop containing a 5-hydroxymethylcytosine modification
Descriptor: E.Coli 27-mer SRL RNA
Authors:Ennifar, E, Micura, R.
Deposit date:2017-04-20
Release date:2017-07-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:Synthesis, Thermodynamic Properties, and Crystal Structure of RNA Oligonucleotides Containing 5-Hydroxymethylcytosine.
J. Org. Chem., 82, 2017
6KL1
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BU of 6kl1 by Molmil
Crystal structure of the S65T/F99S/M153T/V163A variant of non-deuterated GFP at pD 8.5
Descriptor: Green fluorescent protein
Authors:Tai, Y, Takaba, K, Hanazono, Y, Dao, H.A, Miki, K, Takeda, K.
Deposit date:2019-07-28
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions
Acta Crystallogr.,Sect.D, 75, 2019
6Q01
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BU of 6q01 by Molmil
TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 2
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, MAGNESIUM ION, ...
Authors:Schellenberg, M.J, Krahn, J.M, Williams, R.S.
Deposit date:2019-08-01
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (0.851 Å)
Cite:Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
5MNN
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BU of 5mnn by Molmil
Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 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 (0.859 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5D9E
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BU of 5d9e by Molmil
Crystal Structure of the Proline-rich Lasso Peptide Caulosegnin II
Descriptor: CHLORIDE ION, Caulosegnin II
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Marahiel, M.A.
Deposit date:2015-08-18
Release date:2016-02-17
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (0.859 Å)
Cite:The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II.
Mol Biosyst, 12, 2016
7X48
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BU of 7x48 by Molmil
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pelargonic 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 (0.86 Å)
Cite:The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pelargonic acid
To Be Published
5MNG
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BU of 5mng by Molmil
Cationic trypsin in complex with benzamidine (deuterated sample at 100 K)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
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 (0.86 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
7FBF
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BU of 7fbf by Molmil
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with octanoic acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Kakinouchi, K, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2021-07-09
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with octanoic acid
To Be Published
4TKB
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BU of 4tkb by Molmil
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lauric acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-26
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
8U2B
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BU of 8u2b by Molmil
Cryo-EM structure of C.crescentus bNY30a pilus complex
Descriptor: Flp family type IVb pilin
Authors:Wang, Y, Zhang, J.
Deposit date:2023-09-05
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (0.86 Å)
Cite:Structural mechanisms of Tad pilus assembly and its interaction with an RNA virus.
Sci Adv, 10, 2024
3NJW
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BU of 3njw by Molmil
First High Resolution Crystal Structure of a Lasso Peptide
Descriptor: Bicyclic peptide BI-32169
Authors:Nar, H, Schmid, A, Puder, C, Potterat, O.
Deposit date:2010-06-18
Release date:2010-09-01
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:High-resolution crystal structure of a lasso Peptide.
Chemmedchem, 5, 2010
4UAA
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BU of 4uaa by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
6S2S
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BU of 6s2s by Molmil
Hydrogenated human myelin protein P2 at 0.86-A resolution
Descriptor: CITRIC ACID, Myelin P2 protein, PALMITIC ACID, ...
Authors:Laulumaa, S, Kursula, P.
Deposit date:2019-06-21
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Sub-Atomic Resolution Crystal Structures Reveal Conserved Geometric Outliers at Functional Sites.
Molecules, 24, 2019
7QSH
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BU of 7qsh by Molmil
23S ribosomal RNA Sarcin Ricin Loop 27-nt fragment containing a Xanthosine residue at position 2648
Descriptor: 23S ribosomal RNA Sarcin Ricin Loop 27-nucleotide fragment, 9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one, GLYCEROL, ...
Authors:Ennifar, E, Micura, R.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA.
Nucleic Acids Res., 50, 2022

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