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3LJ2
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BU of 3lj2 by Molmil
IRE1 complexed with JAK Inhibitor I
Descriptor: 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Lee, K.P.K, Sicheri, F.
Deposit date:2010-01-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
4H38
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BU of 4h38 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
Descriptor: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H3C
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BU of 4h3c by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-987
Descriptor: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3M3O
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BU of 3m3o by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL mutant R85A complexed with p-Nitrophenyl TF disaccharide
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-tumor lectin, P-NITROPHENOL, ...
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
4K3D
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BU of 4k3d by Molmil
Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3
Descriptor: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Ekiert, D.C, Wang, F, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
3NF4
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BU of 3nf4 by Molmil
Crystal structure of acyl-CoA dehydrogenase from Mycobacterium thermoresistibile bound to flavin adenine dinucleotide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, acyl-CoA dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-06-09
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4MXK
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BU of 4mxk by Molmil
X-ray structure of Fe(II)-ZnPIXFeBMb1
Descriptor: FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING ZN
Authors:Chakraborty, S, Lu, Y, Petrik, I.
Deposit date:2013-09-26
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase.
Angew.Chem.Int.Ed.Engl., 53, 2014
3NE7
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BU of 3ne7 by Molmil
Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a
Descriptor: ACETYLTRANSFERASE, BETA-MERCAPTOETHANOL, COENZYME A, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-06-08
Release date:2010-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
3F82
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BU of 3f82 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-11-11
Release date:2009-03-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of N-(4-(2-Amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (BMS-777607), a Selective and Orally Efficacious Inhibitor of the Met Kinase Superfamily
J.Med.Chem., 52, 2009
4HRO
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BU of 4hro by Molmil
Crystal structure of H. volcanii small archaeal modifier protein 1
Descriptor: CALCIUM ION, Small archaeal modifier protein 1
Authors:Hao, B.
Deposit date:2012-10-28
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of H. volcanii small archaeal modifier protein 1
To be Published
4HRS
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BU of 4hrs by Molmil
Crystal structure of H. volcanii small archaeal modifier protein 2
Descriptor: Small archaeal modifier protein 2
Authors:Hao, B.
Deposit date:2012-10-28
Release date:2013-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.
Protein Sci., 22, 2013
3A0D
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BU of 3a0d by Molmil
Crystal Structure of Polygonatum cyrtonema lectin (PCL) complexed with monomannoside
Descriptor: Mannose/sialic acid-binding lectin, SULFATE ION, methyl alpha-D-mannopyranoside
Authors:Ding, J, Wang, D.C.
Deposit date:2009-03-16
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a novel anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua with unique ligand-binding property and super-structure
J.Struct.Biol., 171, 2010
3A0C
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BU of 3a0c by Molmil
Crystal Structure of an anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua
Descriptor: Mannose/sialic acid-binding lectin
Authors:Ding, J, Wang, D.C.
Deposit date:2009-03-16
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of a novel anti-HIV mannose-binding lectin from Polygonatum cyrtonema Hua with unique ligand-binding property and super-structure
J.Struct.Biol., 171, 2010
8IZE
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BU of 8ize by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP
Descriptor: Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
Authors:Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
Deposit date:2023-04-07
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IXV
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BU of 8ixv by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
Deposit date:2023-04-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IZG
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BU of 8izg by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
Deposit date:2023-04-07
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
Descriptor: SspE protein
Authors:Bing, Y.Z, Yang, H.G.
Deposit date:2019-02-23
Release date:2020-03-25
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
8S9H
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BU of 8s9h by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 14
Descriptor: (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-03-28
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8GOF
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BU of 8gof by Molmil
Structure of hSLC19A1+PMX
Descriptor: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-08-24
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
8GOE
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BU of 8goe by Molmil
Structure of hSLC19A1+5-MTHF
Descriptor: N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-08-24
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
3AFK
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BU of 3afk by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Thomsen-Friedenreich antigen
Descriptor: Anti-tumor lectin, THREONINE, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
3AYC
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BU of 3ayc by Molmil
Crystal structure of galectin-3 CRD domian complexed with GM1 pentasaccharide
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Galectin-3, ...
Authors:Bian, C.F, Li, D.F, Wang, D.C.
Deposit date:2011-05-04
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen
Plos One, 6, 2011
3AYE
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BU of 3aye by Molmil
Crystal structure of galectin-3 CRD domian complexed with lactose
Descriptor: Galectin-3, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bian, C.F, Li, D.F, Wang, D.C.
Deposit date:2011-05-04
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen
Plos One, 6, 2011
5Z96
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BU of 5z96 by Molmil
Structure of the mouse TRPC4 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2018-02-02
Release date:2018-04-18
Last modified:2018-08-29
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the mouse TRPC4 ion channel.
Nat Commun, 9, 2018
3AYA
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BU of 3aya by Molmil
Crystal structure of galectin-3 CRD domian complexed with Thomsen-Friedenreich antigen
Descriptor: Galectin-3, SULFATE ION, THREONINE, ...
Authors:Bian, C.F, Li, D.F, Wang, D.C.
Deposit date:2011-05-04
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen
Plos One, 6, 2011

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