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5YVR
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BU of 5yvr by Molmil
Crystal Structure of the H277A mutant of ADH/D1, an archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase
Descriptor: MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alcohol dehydrogenase
Authors:Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
Deposit date:2017-11-27
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
5YVM
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BU of 5yvm by Molmil
Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NZQ
Descriptor: 5,6-DIHYDROXY-NADP, MANGANESE (II) ION, alcohol dehydrogenase
Authors:Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
Deposit date:2017-11-26
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
Descriptor: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
4C11
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BU of 4c11 by Molmil
Dengue virus RNA dependent RNA polymerase with residues from the NS5 linker region
Descriptor: DENGUE VIRUS TYPE 3 RNA DEPENDENT RNA POLYMERASE, ZINC ION
Authors:Lim, S.P, Lescar, J.
Deposit date:2013-08-09
Release date:2013-08-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Crystal Structure of the Dengue Virus Ns5 Polymerase Delineates Inter-Domain Amino Acids Residues that Enhance its Thermostability and De Novo Initiation Activities.
J.Biol.Chem., 288, 2013
8SAH
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BU of 8sah by Molmil
Huntingtin C-HEAT domain in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Alteen, M.G, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2023-03-31
Release date:2023-04-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40.
Structure, 31, 2023
1WBF
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BU of 1wbf by Molmil
WINGED BEAN LECTIN, SACCHARIDE FREE FORM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Manoj, N, Srinivas, V.R, Suguna, K.
Deposit date:1998-12-16
Release date:1999-12-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of basic winged-bean lectin and a comparison with its saccharide-bound form.
Acta Crystallogr.,Sect.D, 55, 1999
4KBA
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BU of 4kba by Molmil
CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor
Descriptor: 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBC
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BU of 4kbc by Molmil
CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor
Descriptor: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SULFATE ION, ...
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KB8
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BU of 4kb8 by Molmil
CK1d in complex with 1-{4-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}-N-METHYLMETHANAMINE ligand
Descriptor: 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine, Casein kinase I isoform delta, N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine, ...
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4Z0M
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BU of 4z0m by Molmil
EchA5 Mycobacterium tuberculosis
Descriptor: Enoyl-CoA hydratase
Authors:Chaudhary, S, Gokhale, R.S.
Deposit date:2015-03-26
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase
Chem.Biol., 22, 2015
4LR6
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BU of 4lr6 by Molmil
Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment
Descriptor: 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID
Authors:Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
Deposit date:2013-07-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
4LRG
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BU of 4lrg by Molmil
Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide
Descriptor: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4
Authors:Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
Deposit date:2013-07-19
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
5XAQ
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BU of 5xaq by Molmil
Crystal structure of Animalia-specific tRNA deacylase from Mus musculus
Descriptor: Probable D-tyrosyl-tRNA(Tyr) deacylase 2
Authors:Kuncha, K.S, Kattula, B, Sankarnarayanan, R.
Deposit date:2017-03-14
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A chiral selectivity relaxed paralog of DTD for proofreading tRNA mischarging in Animalia
Nat Commun, 9, 2018
5YOJ
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BU of 5yoj by Molmil
Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657
Descriptor: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL
Authors:Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y.
Deposit date:2017-10-29
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
5YOK
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BU of 5yok by Molmil
Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657
Descriptor: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE
Authors:Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y.
Deposit date:2017-10-29
Release date:2018-07-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
1M26
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BU of 1m26 by Molmil
Crystal structure of jacalin-T-antigen complex
Descriptor: Jacalin, alpha chain, beta chain, ...
Authors:Jeyaprakash, A.A, Rani, P.G, Reddy, G.B, Banumathi, S, Betzel, C, Surolia, A, Vijayan, M.
Deposit date:2002-06-21
Release date:2002-10-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the jacalin-T-antigen complex and a comparative study of lectin-T-antigen complexs
J.Mol.Biol., 321, 2002
5VQM
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BU of 5vqm by Molmil
Clostridium difficile TcdB-GTD bound to PA41 Fab
Descriptor: PA41 FAB HEAVY CHAIN, PA41 FAB LIGHT CHAIN, Toxin B
Authors:Kroh, H.K, Spiller, B.W, Lacy, D.B.
Deposit date:2017-05-09
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:A neutralizing antibody that blocks delivery of the enzymatic cargo of Clostridium difficile toxin TcdB into host cells.
J. Biol. Chem., 293, 2018
1UGW
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BU of 1ugw by Molmil
Crystal structure of jacalin- Gal complex
Descriptor: Agglutinin alpha chain, Agglutinin alpha-chain, Agglutinin beta-3 chain, ...
Authors:Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
Deposit date:2003-06-22
Release date:2003-09-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
1UH1
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BU of 1uh1 by Molmil
Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-methyl alpha-D-galactopyranoside, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
Authors:Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
Deposit date:2003-06-23
Release date:2003-09-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
1UH0
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BU of 1uh0 by Molmil
Crystal structure of jacalin- Me-alpha-GalNAc complex
Descriptor: Agglutinin alpha chain, Agglutinin beta-3 chain, methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
Authors:Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
Deposit date:2003-06-23
Release date:2003-09-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
1UGY
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BU of 1ugy by Molmil
Crystal structure of jacalin- mellibiose (Gal-alpha(1-6)-Glc) complex
Descriptor: Agglutinin alpha chain, Agglutinin beta-3 chain, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose, ...
Authors:Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
Deposit date:2003-06-23
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
1UGX
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BU of 1ugx by Molmil
Crystal structure of jacalin- Me-alpha-T-antigen (Gal-beta(1-3)-GalNAc-alpha-o-Me) complex
Descriptor: Agglutinin alpha chain, Agglutinin beta-3 chain, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
Authors:Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
Deposit date:2003-06-22
Release date:2003-09-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
1VBO
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BU of 1vbo by Molmil
Crystal structure of artocarpin-mannotriose complex
Descriptor: alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, artocarpin
Authors:Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M.
Deposit date:2004-02-28
Release date:2004-06-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity
J.Mol.Biol., 338, 2004
1WS4
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BU of 1ws4 by Molmil
Crystal structure of Jacalin- Me-alpha-Mannose complex: Promiscuity vs Specificity
Descriptor: Agglutinin alpha chain, Agglutinin beta-3 chain, methyl alpha-D-galactopyranoside, ...
Authors:Jeyaprakash, A.A, Jayashree, G, Mahanta, S.K, Sekar, K, Surolia, A, Vijayan, M.
Deposit date:2004-10-31
Release date:2005-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity
J.Mol.Biol., 347, 2005

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