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6GE7
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BU of 6ge7 by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, nonadecanoic acid
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-04-25
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
7LP1
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BU of 7lp1 by Molmil
Structure of Nedd4L WW3 domain
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, GLYCEROL, NITRATE ION
Authors:Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I.
Deposit date:2021-02-11
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
7LP3
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BU of 7lp3 by Molmil
Structure of Nedd4L WW3 domain
Descriptor: Angiomotin, E3 ubiquitin-protein ligase NEDD4-like, SULFATE ION
Authors:Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I.
Deposit date:2021-02-11
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
7LP2
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BU of 7lp2 by Molmil
Structure of Nedd4L WW3 domain
Descriptor: Angiomotin, E3 ubiquitin-protein ligase, GLYCEROL, ...
Authors:Alian, A, Alam, S.L, Thompson, T, Rheinemann, L, Sundquist, W.I.
Deposit date:2021-02-11
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
7LYB
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BU of 7lyb by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with BRCA1-BARD1-UbcH5c
Descriptor: BRCA1-associated RING domain protein 1, DNA (146-MER), DNA (147-MER), ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G.
Deposit date:2021-03-06
Release date:2021-07-28
Last modified:2021-09-01
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation.
Nature, 596, 2021
4ZEC
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BU of 4zec by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocin 84
Descriptor: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
1Y8I
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BU of 1y8i by Molmil
Horse methemoglobin low salt, PH 7.0 (98% relative humidity)
Descriptor: Hemoglobin alpha chains, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sankaranarayanan, R, Biswal, B.K, Vijayan, M.
Deposit date:2004-12-13
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A new relaxed state in horse methemoglobin characterized by crystallographic studies.
Proteins, 60, 2005
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
1K1K
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BU of 1k1k by Molmil
Structure of Mutant Human Carbonmonoxyhemoglobin C (beta E6K) at 2.0 Angstrom Resolution in Phosphate Buffer.
Descriptor: CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ...
Authors:Dewan, J.C, Taylor-Feeling, A, Puius, Y.A, Patskovska, L, Patskovsky, Y, Nagel, R.L, Almo, S.C, Hirsch, R.E.
Deposit date:2001-09-25
Release date:2002-12-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of mutant human carbonmonoxyhemoglobin C (betaE6K) at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
3H3P
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BU of 3h3p by Molmil
Crystal structure of HIV epitope-scaffold 4E10 Fv complex
Descriptor: 4E10_S0_1TJLC_004_N, CALCIUM ION, Fv 4E10 heavy chain, ...
Authors:Holmes, M.A.
Deposit date:2009-04-16
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interactions between lipids and human anti-HIV antibody 4E10 can be reduced without ablating neutralizing activity
J.Virol., 84, 2010
5ZB4
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BU of 5zb4 by Molmil
Crystal structure of thymidylate kinase in complex with ADP and TMP from thermus thermophilus HB8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2018-02-09
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
4DBU
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BU of 4dbu by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
Descriptor: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
Deposit date:2012-01-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.528 Å)
Cite:Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
1FJW
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BU of 1fjw by Molmil
THERMOLYSIN (50 MM PHENOL SOAKED)
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, PHENOL, ...
Authors:English, A.C, Groom, C.R, Hubbard, R.E.
Deposit date:2000-08-08
Release date:2001-04-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Experimental and computational mapping of the binding surface of a crystalline protein.
Protein Eng., 14, 2001
5W6X
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BU of 5w6x by Molmil
Crystal structure of the HsNUDT16 in complex with Mg+2 and ADP-ribose
Descriptor: ACETIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-06-18
Release date:2018-12-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
5VYT
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BU of 5vyt by Molmil
Crystal structure of the WbkC N-formyltransferase (F142A variant) from Brucella melitensis
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gdp-mannose 4,6-dehydratase / gdp-4-amino-4,6-dideoxy-d-mannose formyltransferase, ...
Authors:Riegert, A.S, Chantigian, D.P, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical Characterization of WbkC, an N-Formyltransferase from Brucella melitensis.
Biochemistry, 56, 2017
4YGL
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BU of 4ygl by Molmil
NaClO4--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, PERCHLORATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
3LC4
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BU of 3lc4 by Molmil
Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid
Descriptor: 12-(1H-imidazol-1-yl)dodecanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Porubsky, P.R.
Deposit date:2010-01-09
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
2V7U
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BU of 2v7u by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase s158g mutant complexed with s-adenosylmethionine and chloride ion
Descriptor: 5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE, CHLORIDE ION, S-ADENOSYLMETHIONINE
Authors:Zhu, X, O'Hagan, D, Naismith, J.H.
Deposit date:2007-08-02
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
6D7N
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BU of 6d7n by Molmil
Crystal structure of the W357R/W399R Importin alpha mutant
Descriptor: 1,2-ETHANEDIOL, Peroxidase,Importin subunit alpha-1
Authors:Pedersen, L.C, London, R.E, Gabel, S.A.
Deposit date:2018-04-25
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Variations in nuclear localization strategies among pol X family enzymes.
Traffic, 2018
5TV6
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BU of 5tv6 by Molmil
A. aeolicus BioW with pimelate
Descriptor: 6-carboxyhexanoate--CoA ligase, PIMELIC ACID
Authors:Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K.
Deposit date:2016-11-08
Release date:2016-12-07
Last modified:2017-05-31
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
2F42
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BU of 2f42 by Molmil
dimerization and U-box domains of Zebrafish C-terminal of HSP70 interacting protein
Descriptor: CHLORIDE ION, STIP1 homology and U-box containing protein 1
Authors:Xu, Z, Nix, J.C, Misra, S.
Deposit date:2005-11-22
Release date:2006-05-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Interactions of the Helical and U-Box Domains of CHIP, the C Terminus of HSP70 Interacting Protein.
Biochemistry, 45, 2006
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
1Y8H
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BU of 1y8h by Molmil
HORSE METHEMOGLOBIN LOW SALT, PH 7.0
Descriptor: Hemoglobin alpha chains, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sankaranarayanan, R, Biswal, B.K, Vijayan, M.
Deposit date:2004-12-13
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A new relaxed state in horse methemoglobin characterized by crystallographic studies.
Proteins, 60, 2005

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