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4K7A
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BU of 4k7a by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, Androgen receptor
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2013-04-16
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil
To be Published
4B30
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BU of 4b30 by Molmil
Structure of the mutant V44A of the fluorescent protein KillerRed
Descriptor: CHLORIDE ION, GLYCEROL, KILLERRED, ...
Authors:Carpentier, P, de Rosny, E.
Deposit date:2012-07-19
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Gfp-Like Phototransformation Mechanisms in the Cytotoxic Fluorescent Protein Killerred Unraveled by Structural and Spectroscopic Investigations.
J.Am.Chem.Soc., 134, 2012
1LH6
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BU of 1lh6 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: LEGHEMOGLOBIN A (NICOTINATE MET), NICOTINIC ACID, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
6GG2
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BU of 6gg2 by Molmil
The structure of FsqB from Aspergillus fumigatus, a flavoenzyme of the amine oxidase family
Descriptor: Amino acid oxidase fmpA, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Pavkov-Keller, T, Lahham, M, Macheroux, P, Gruber, K.
Deposit date:2018-05-02
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Oxidative cyclization ofN-methyl-dopa by a fungal flavoenzyme of the amine oxidase family.
J. Biol. Chem., 293, 2018
3K6L
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BU of 3k6l by Molmil
The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
Descriptor: (2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, NICKEL (II) ION, Peptide deformylase
Authors:Cheng, R.K.Y, Crawley, L, Wood, M, Barker, J, Felicetti, B, Whittaker, M.
Deposit date:2009-10-09
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
To be Published
5GT4
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BU of 5gt4 by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol
Descriptor: 4-{[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile, Vitamin D3 receptor
Authors:Takimoto-Kamimura, M.
Deposit date:2016-08-18
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol
To Be Published
6QBL
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BU of 6qbl by Molmil
NMR Structure of Big-defensin 1 from oyster Crassostrea gigas
Descriptor: Big defensin 1
Authors:Loth, K, Meudal, H, Delmas, A.F.
Deposit date:2018-12-21
Release date:2019-12-11
Method:SOLUTION NMR
Cite:The Ancestral N-Terminal Domain of Big Defensins Drives Bacterially Triggered Assembly into Antimicrobial Nanonets.
Mbio, 10, 2019
4WNH
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BU of 4wnh by Molmil
Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese,acceptor ligand and UDP-Xylose
Descriptor: Coagulation factor IX, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE, ...
Authors:Yu, H, Li, H.
Deposit date:2014-10-11
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese,acceptor ligand and UDP-Xylose
To Be Published
4OZV
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BU of 4ozv by Molmil
Crystal Structure of the periplasmic alginate lyase AlgL
Descriptor: Alginate lyase, beta-D-mannopyranuronic acid
Authors:Howell, P.L, Wolfram, F, Robinson, H, Arora, K.
Deposit date:2014-02-19
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:The Pseudomonas aeruginosa homeostasis enzyme AlgL clears the periplasmic space of accumulated alginate during polymer biosynthesis.
J.Biol.Chem., 298, 2022
4WEX
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BU of 4wex by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168S
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-11
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
5H8I
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BU of 5h8i by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) in complex with N-(dihydroxymethyl)putrescine
Descriptor: (4-azanylbutylamino)methanediol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
6H10
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BU of 6h10 by Molmil
Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A.
Deposit date:2018-07-10
Release date:2020-01-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.104 Å)
Cite:Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073
To be published
5B1N
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BU of 5b1n by Molmil
DHp domain structure of EnvZ from Escherichia coli
Descriptor: Osmolarity sensor protein EnvZ
Authors:Okajima, T, Eguchi, Y, Tochio, N, Inukai, Y, Shimizu, R, Ueda, S, Shinya, S, Kigawa, T, Fukamizo, T, Igarashi, M, Utsumi, R.
Deposit date:2015-12-09
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Angucycline antibiotic waldiomycin recognizes common structural motif conserved in bacterial histidine kinases
J. Antibiot., 70, 2017
4J21
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BU of 4j21 by Molmil
Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Descriptor: 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4GNC
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BU of 4gnc by Molmil
human SMP30/GNL-1,5-AG complex
Descriptor: 1,5-anhydro-D-glucitol, CALCIUM ION, Regucalcin
Authors:Aizawa, S, Senda, M, Harada, A, Maruyama, N, Ishida, T, Aigaki, T, Ishigami, A, Senda, T.
Deposit date:2012-08-17
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Structural basis of the gamma-lactone-ring formation in ascorbic acid biosynthesis by the senescence marker protein-30/gluconolactonase
Plos One, 8, 2013
1LH1
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BU of 1lh1 by Molmil
X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN)
Descriptor: ACETATE ION, LEGHEMOGLOBIN (ACETO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V.
Deposit date:1982-04-23
Release date:1983-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
8E77
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BU of 8e77 by Molmil
rystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA), incomplete with its external aldimine reaction intermediate
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, ...
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8E75
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BU of 8e75 by Molmil
Crystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA)
Descriptor: 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, SODIUM ION
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
6G0F
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BU of 6g0f by Molmil
BRD4 (BD1) in complex with docking-derived ligand
Descriptor: (4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Pretzel, J, Humbeck, L.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.618 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
8E62
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BU of 8e62 by Molmil
STRUCTURE OF Pcryo_0615 from Psychrobacter cryohalolentis, an N-acetyltransferase required to produce Diacetamido-2,3-dideoxy-D-glucuronic acid
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid, COENZYME A, SODIUM ION, ...
Authors:Hofmeister, D.L, Bockhaus, N.J, Seltzner, C.A, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-22
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
6GUI
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BU of 6gui by Molmil
Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus
Descriptor: GLYCEROL, Siderophore esterase IroE-like, putative
Authors:Ecker, F, Haas, H, Groll, M, Huber, E.M.
Deposit date:2018-06-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
6QBK
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BU of 6qbk by Molmil
NMR Structure of Big-defensin 1 [44-93] from oyster Crassostrea gigas
Descriptor: Big defensin 1
Authors:Loth, K, Meudal, H, Delmas, A.F.
Deposit date:2018-12-21
Release date:2019-12-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Ancestral N-Terminal Domain of Big Defensins Drives Bacterially Triggered Assembly into Antimicrobial Nanonets.
Mbio, 10, 2019
7AZ5
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BU of 7az5 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 47 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, Peptide 47, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZG
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BU of 7azg by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 4 bound
Descriptor: Beta sliding clamp, Peptide 4
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
7AZL
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BU of 7azl by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 38 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021

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