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2LZ5
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BU of 2lz5 by Molmil
Solution structure of a Novel Alpha-Conotoxin TxIB
Descriptor: Conotoxin_TxIB
Authors:Luo, S, Zhangsun, D, Wu, Y, Zhu, X, Hu, Y, McIntyre, M, Christensen, S, Akcan, M, Craik, D, McIntosh, J.
Deposit date:2012-09-23
Release date:2012-12-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of a novel alpha-conotoxin from conus textile that selectively targets alpha6/alpha3beta2beta3 nicotinic acetylcholine receptors.
J.Biol.Chem., 288, 2013
1FL6
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BU of 1fl6 by Molmil
THE HAPTEN COMPLEXED GERMLINE PRECURSOR TO SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4
Descriptor: 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID, ANTIBODY GERMLINE PRECURSOR TO 28B4
Authors:Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G.
Deposit date:2000-08-11
Release date:2001-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A comparative analysis of the immunological evolution of antibody 28B4.
Biochemistry, 40, 2001
7XQS
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BU of 7xqs by Molmil
The structure of FLA-K*00701/KP-CoV-9
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, peptide from Spike glycoprotein
Authors:Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z.
Deposit date:2022-05-08
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
7XQT
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BU of 7xqt by Molmil
The structure of FLA-K*00701/KP-FECV-11
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, peptide from Spike glycoprotein
Authors:Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z.
Deposit date:2022-05-08
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
1FL5
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BU of 1fl5 by Molmil
THE UNLIGANDED GERMLINE PRECURSOR TO THE SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4.
Descriptor: ANTIBODY GERMLINE PRECURSOR TO ANTIBODY 28B4, SULFATE ION
Authors:Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G.
Deposit date:2000-08-11
Release date:2001-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A comparative analysis of the immunological evolution of antibody 28B4.
Biochemistry, 40, 2001
7XQU
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BU of 7xqu by Molmil
The structure of FLA-E*00301/EM-FECV-10
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide from Nucleoprotein
Authors:Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z.
Deposit date:2022-05-08
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
2FFR
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BU of 2ffr by Molmil
Crystallographic studies on N-azido-beta-D-glucopyranosylamine, an inhibitor of glycogen phosphorylase: comparison with N-acetyl-beta-D-glucopyranosylamine
Descriptor: Glycogen phosphorylase, muscle form, N-(azidoacetyl)-beta-D-glucopyranosylamine, ...
Authors:Petsalakis, E.I, Chrysina, E.D, Tiraidis, C, Hadjiloi, T, Leonidas, D.D, Oikonomakos, N.G, Aich, U, Varghese, B, Loganathan, D.
Deposit date:2005-12-20
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystallographic studies on N-azidoacetyl-beta-d-glucopyranosylamine, an inhibitor of glycogen phosphorylase: Comparison with N-acetyl-beta-d-glucopyranosylamine.
Bioorg.Med.Chem., 14, 2006
3RJO
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BU of 3rjo by Molmil
Crystal Structure of ERAP1 Peptide Binding Domain
Descriptor: 1,2-ETHANEDIOL, Endoplasmic reticulum aminopeptidase 1
Authors:Guo, H.-C, Lakshminarasimhan, D, Gandhi, A.
Deposit date:2011-04-15
Release date:2011-12-21
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the molecular ruler mechanism of the endoplasmic reticulum aminopeptidase ERAP1.
Sci Rep, 1, 2011
1ZQ5
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BU of 1zq5 by Molmil
Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404
Descriptor: 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
Authors:Qiu, W, Zhou, M, Ghanmi, D, Luu-The, V, Labrie, F, Lin, S.X.
Deposit date:2005-05-18
Release date:2006-12-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 282, 2007
7MK5
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BU of 7mk5 by Molmil
Crystal structure of Escherichia coli ClpP covalently inhibited by clipibicyclene
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid, ACETATE ION, ...
Authors:Culp, E.J, Sychantha, D, Hobson, C, Pawlowski, A.J, Prehna, G, Wright, G.D.
Deposit date:2021-04-21
Release date:2022-02-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:ClpP inhibitors are produced by a widespread family of bacterial gene clusters.
Nat Microbiol, 7, 2022
2M3I
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BU of 2m3i by Molmil
Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors
Descriptor: Alpha-conotoxin
Authors:Luo, S, Zhangsun, D, Zhu, X, Wu, Y, Hu, Y, Christensen, S, Akcan, M, Craik, D.J, McIntosh, J.M.
Deposit date:2013-01-20
Release date:2013-12-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of a Novel alpha-Conotoxin TxID from Conus textile That Potently Blocks Rat alpha 3 beta 4 Nicotinic Acetylcholine Receptors.
J.Med.Chem., 56, 2013
4BJ3
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BU of 4bj3 by Molmil
Integrin alpha2 I domain E318W-collagen complex
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GFOGER PEPTIDE, ...
Authors:Carafoli, F, Hamaia, S.W, Bihan, D, Hohenester, E, Farndale, R.W.
Deposit date:2013-04-16
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:An Activating Mutation Reveals a Second Binding Mode of the Integrin Alpha2 I Domain to the Gfoger Motif in Collagens.
Plos One, 8, 2013
4AUO
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BU of 4auo by Molmil
Crystal structure of MMP-1(E200A) in complex with a triple-helical collagen peptide
Descriptor: CALCIUM ION, INTERSTITIAL COLLAGENASE, TRIPLE-HELICAL COLLAGEN PEPTIDE, ...
Authors:Manka, S.W, Carafoli, F, Visse, R, Bihan, D, Raynal, N, Farndale, R.W, Murphy, G, Enghild, J.J, Hohenester, E, Nagase, H.
Deposit date:2012-05-18
Release date:2012-07-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Insights Into Triple-Helical Collagen Cleavage by Matrix Metalloproteinase 1
Proc.Natl.Acad.Sci.USA, 109, 2012
4NOG
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BU of 4nog by Molmil
Crystal structure of a putative ornithine aminotransferase from Toxoplasma gondii ME49 in complex with pyrodoxal-5'-phosphate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Filippova, E.V, Halavaty, A, Ruan, J, Shuvalova, L, Flores, K, Dubrovska, I, Ngo, H, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-11-19
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
4NML
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BU of 4nml by Molmil
2.60 Angstrom resolution crystal structure of putative ribose 5-phosphate isomerase from Toxoplasma gondii ME49 in complex with DL-Malic acid
Descriptor: CHLORIDE ION, D-MALATE, Ribulose 5-phosphate isomerase
Authors:Halavaty, A.S, Dubrovska, I, Flores, K, Shanmugam, D, Shuvalova, L, Roos, D, Ruan, J, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-11-15
Release date:2013-12-04
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
4O0N
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BU of 4o0n by Molmil
2.4 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii.
Descriptor: Nucleoside diphosphate kinase, SULFATE ION
Authors:Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-12-13
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
4ODI
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BU of 4odi by Molmil
2.6 Angstrom Crystal Structure of Putative Phosphoglycerate Mutase 1 from Toxoplasma gondii
Descriptor: Phosphoglycerate mutase PGMII, SODIUM ION
Authors:Minasov, G, Ruan, J, Ngo, H, Shuvalova, L, Dubrovska, I, Flores, K, Shanmugam, D, Roos, D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-10
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondii .
Front Cell Infect Microbiol, 8, 2018
3US9
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BU of 3us9 by Molmil
Crystal Structure of the NCX1 Intracellular Tandem Calcium Binding Domains(CBD12)
Descriptor: CALCIUM ION, Sodium/calcium exchanger 1
Authors:Giladi, M, Sasson, Y, Hirsch, J.A, Khananshvili, D.
Deposit date:2011-11-23
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A common Ca2+-driven interdomain module governs eukaryotic NCX regulation.
Plos One, 7, 2012
4LZP
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BU of 4lzp by Molmil
Structure of the TIR domain of the immunosuppressor BtpA from Brucella
Descriptor: Putative uncharacterized protein
Authors:Kaplan-turkoz, B, O'callaghan, D, Vergunst, A, Terradot, L.
Deposit date:2013-08-01
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of the Toll/interleukin 1 receptor (TIR) domain of the immunosuppressive Brucella effector BtpA/Btp1/TcpB
Febs Lett., 587, 2013
4PEL
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BU of 4pel by Molmil
S1C mutant of Penicillin G acylase from Kluyvera citrophila
Descriptor: CALCIUM ION, Penicillin G acylase subunit alpha, Penicillin G acylase subunit beta
Authors:Ramasamy, S, Chand, D, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G.
Deposit date:2014-04-24
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Penicillin G acylase
To Be Published
1M53
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BU of 1m53 by Molmil
CRYSTAL STRUCTURE OF ISOMALTULOSE SYNTHASE (PALI) FROM KLEBSIELLA SP. LX3
Descriptor: Isomaltulose Synthase
Authors:Li, N, Swaminathan, K.
Deposit date:2002-07-08
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isomaltulose synthase (PalI) of Klebsiella sp. LX3. Crystal structure and implication of mechanism
J.Biol.Chem., 278, 2003
6TXZ
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BU of 6txz by Molmil
FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3
Descriptor: Fab H, Fab L, Hepatitis A virus cellular receptor 2
Authors:Musil, D, Sood, V.
Deposit date:2020-01-15
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody.
Oncoimmunology, 9, 2020
6EW3
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BU of 6ew3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
3I2K
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BU of 3i2k by Molmil
Cocaine Esterase, wild type, bound to a DTT adduct
Descriptor: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
Authors:Tesmer, J.J.G, Nance, M.R.
Deposit date:2009-06-29
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
8EJB
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BU of 8ejb by Molmil
Bruton's tyrosine kinase in complex with 3-{[4-(1-acetylpiperidin-4-yl)phenyl]amino}-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2022-09-16
Release date:2023-02-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:NRX-0492 degrades wild-type and C481 mutant BTK and demonstrates in vivo activity in CLL patient-derived xenografts.
Blood, 141, 2023

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