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3K39
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BU of 3k39 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
5CWX
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BU of 5cwx by Molmil
Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryzae, in complex with fragment 134
Descriptor: 3-(2-methyl-1,3-thiazol-4-yl)aniline, ACETATE ION, CADMIUM ION, ...
Authors:Ngo, H.P.T, Kang, L.W.
Deposit date:2015-07-28
Release date:2016-08-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryzae, in complex with fragment 134
To Be Published
4BFI
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BU of 4bfi by Molmil
Structure of the complex of the extracellular portions of mouse CD200R and mouse CD200
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CELL SURFACE GLYCOPROTEIN CD200 RECEPTOR 1, ...
Authors:Hatherley, D, Lea, S.M, Johnson, S, Barclay, A.N.
Deposit date:2013-03-19
Release date:2013-05-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structures of Cd200/Cd200 Receptor Family and Implications for Topology, Regulation, and Evolution
Structure, 21, 2013
5CYN
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BU of 5cyn by Molmil
JC Virus large T-antigen origin binding domain F258L mutant
Descriptor: 1,2-ETHANEDIOL, Large T antigen
Authors:Meinke, G, Bohm, A, Bullock, P.A.
Deposit date:2015-07-30
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Based Analyses of the JC Virus T-Antigen F258L Mutant Provides Evidence for DNA Dependent Conformational Changes in the C-Termini of Polyomavirus Origin Binding Domains.
Plos Pathog., 12, 2016
7G8E
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BU of 7g8e by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104479710
Descriptor: 1-(1H-benzimidazol-2-yl)methanamine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8P
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BU of 7g8p by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269184613
Descriptor: 1,3-benzothiazole-6-sulfonamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
7L62
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BU of 7l62 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with L-fucose-(alpha 1-2)-D-galactose-(beta1-4)-D-glucose
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
4BIR
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BU of 4bir by Molmil
RIBONUCLEASE T1: FREE HIS92GLN MUTANT
Descriptor: CALCIUM ION, GUANYL-SPECIFIC RIBONUCLEASE T1
Authors:Doumen, J, Steyaert, J.
Deposit date:1998-01-13
Release date:1998-07-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.
Biochemistry, 31, 1992
4K8X
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BU of 4k8x by Molmil
Binary complex of 9N DNA polymerase in the replicative state
Descriptor: 1,2-ETHANEDIOL, 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium, CHLORIDE ION, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2013-04-19
Release date:2013-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structures of KOD and 9N DNA Polymerases Complexed with Primer Template Duplex
Chembiochem, 14, 2013
7G98
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BU of 7g98 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z4605084898
Descriptor: 1,3-dimethylimidazolidine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
4R7O
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BU of 4r7o by Molmil
Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.534 Å)
Cite:Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
To be Published
5D66
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BU of 5d66 by Molmil
Crystal structure of an ankyrin repeat domain (ABAYE2397) from Acinetobacter baumannii AYE at 1.00 A resolution
Descriptor: CHLORIDE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2015-08-11
Release date:2015-09-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structure of an ankyrin repeat domain (ABAYE2397) from Acinetobacter baumannii AYE at 1.00 A resolution
To be published
2W6Z
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BU of 2w6z by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the 3-(3-Methyl-but-2-enyl)-3H-purin-6-ylamine fragment
Descriptor: 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-19
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
8XTQ
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BU of 8xtq by Molmil
Comamonas testosteroni KF-1 circularly permuted group II intron 1S state
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (808-MER)
Authors:Wang, L, Xie, J.H, Zhang, C, Zou, J, Huang, Z.R, Shang, S.T, Chen, X.Y, Yang, Y, Liu, J, Dong, H.H, Huang, D.M, Su, Z.M.
Deposit date:2024-01-11
Release date:2025-02-12
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural basis of circularly permuted group II intron self-splicing.
Nat.Struct.Mol.Biol., 32, 2025
7G81
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BU of 7g81 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474512
Descriptor: 1-(2-ethoxyphenyl)piperazine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
8XTS
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BU of 8xts by Molmil
Comamonas testosteroni KF-1 circularly permuted group II intron Pre-1S state
Descriptor: MAGNESIUM ION, POTASSIUM ION, RNA (814-MER)
Authors:Wang, L, Xie, J.H, Zhang, C, Zou, J, Huang, Z.R, Shang, S.T, Chen, X.Y, Yang, Y, Liu, J, Dong, H.H, Huang, D.M, Su, Z.M.
Deposit date:2024-01-11
Release date:2025-02-12
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structural basis of circularly permuted group II intron self-splicing.
Nat.Struct.Mol.Biol., 32, 2025
7G8C
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BU of 7g8c by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1037511924
Descriptor: 1-(difluoromethyl)-1H-indol-5-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.176 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
5D4A
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BU of 5d4a by Molmil
Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid
Descriptor: 3-(2-phenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte
Authors:Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T.
Deposit date:2015-08-07
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis
Acs Med.Chem.Lett., 7, 2016
5UFQ
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BU of 5ufq by Molmil
K-RasG12D(GNP)/R11.1.6 complex
Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, J.A, Mattos, C.
Deposit date:2017-01-05
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:An engineered protein antagonist of K-Ras/B-Raf interaction.
Sci Rep, 7, 2017
5WBV
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BU of 5wbv by Molmil
Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
Descriptor: 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid, Histone-lysine N-methyltransferase KMT5B, S-ADENOSYLMETHIONINE, ...
Authors:Halabelian, L, Tempel, W, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-06-29
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor
To be published
5W8R
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BU of 5w8r by Molmil
Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
Descriptor: 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2017-06-22
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
5UE1
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BU of 5ue1 by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase in complex with adenine from Vibrio fischeri ES114
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-12-29
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Vibrio fischeri ES114
To Be Published
2WW0
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BU of 2ww0 by Molmil
Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482
Descriptor: 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, CALCIUM ION, GLYCEROL, ...
Authors:Suits, M.D.L, Thompson, A, Zhu, Y, Gilbert, H.J, Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
7L63
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BU of 7l63 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with L-fucose-(alpha 1-2)-D-galactose-(beta1-4)-D-glucose
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
4AM8
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BU of 4am8 by Molmil
Crystal structure of the R54G mutant of putrescine transcarbamylase from Enterococcus faecalis bound to a curing guanidinium ion
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTAMINE, GUANIDINE, ...
Authors:Polo, L.M, Rubio, V.
Deposit date:2012-03-08
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Curing a Mutant Transcarbamylase with a Small Molecule: A Crystallographic View
To be Published

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