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4YWZ
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BU of 4ywz by Molmil
Crystal structure of the extracellular receptor domain of the essential sensor kinase WalK from Staphylococcus aureus
Descriptor: Sensor protein kinase WalK
Authors:Ji, Q, Wawrzak, Z, He, C.
Deposit date:2015-03-21
Release date:2016-03-30
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus.
Nat Commun, 7, 2016
2WRY
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BU of 2wry by Molmil
Crystal structure of chicken cytokine interleukin 1 beta
Descriptor: INTERLEUKIN-1BETA
Authors:Lu, W.S, Cheng, C.S, Lyu, P.C, Lee, L.H, Wang, W.C, Yin, H.S.
Deposit date:2009-09-03
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and Functional Comparison of Cytokine Interleukin-1 Beta from Chicken and Human.
Mol.Immunol., 48, 2011
2ZNC
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BU of 2znc by Molmil
MURINE CARBONIC ANHYDRASE IV
Descriptor: CARBONIC ANHYDRASE IV, ZINC ION
Authors:Stams, T, Chen, Y, Christianson, D.W.
Deposit date:1998-02-10
Release date:1999-03-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
3A5V
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BU of 3a5v by Molmil
Crystal structure of alpha-galactosidase I from Mortierella vinacea
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fujimoto, Z, Kaneko, S, Kobayashi, H.
Deposit date:2009-08-12
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Tetramer Structure of the Glycoside Hydrolase Family 27 alpha-Galactosidase I from Umbelopsis vinacea
Biosci.Biotechnol.Biochem., 73, 2009
8DG1
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BU of 8dg1 by Molmil
Crystal Structure of EcDsbA in a complex with DMSO
Descriptor: COPPER (II) ION, DIMETHYL SULFOXIDE, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-06-23
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D11
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BU of 8d11 by Molmil
Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-5-amine
Descriptor: 1-methyl-1H-pyrazol-5-amine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8CXE
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BU of 8cxe by Molmil
Crystal Structure of EcDsbA in a complex with 1H-imidazole
Descriptor: IMIDAZOLE, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-20
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8D10
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BU of 8d10 by Molmil
Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine
Descriptor: 1-(1-methyl-1H-pyrazol-5-yl)methanamine, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-26
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
8DG2
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BU of 8dg2 by Molmil
Crystal Structure of EcDsbA in a complex with DMSO
Descriptor: COPPER (II) ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-06-23
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
1HHH
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BU of 1hhh by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), HEPATITIS B NUCLEOCAPSID PROTEIN (RESIDUES 18-27)
Authors:Madden, D.R, Garboczi, D.N, Wiley, D.C.
Deposit date:1993-06-30
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHK
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BU of 1hhk by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN (RESIDUES 11-19)
Authors:Madden, D.R, Garboczi, D.N, Wiley, D.C.
Deposit date:1993-06-30
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHI
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BU of 1hhi by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), INFLUENZA A MATRIX PROTEIN M1 (RESIDUES 58-66)
Authors:Madden, D.R, Garboczi, D.N, Wiley, D.C.
Deposit date:1993-06-30
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHJ
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BU of 1hhj by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), HIV-1 REVERSE TRANSCRIPTASE (RESIDUES 309-317)
Authors:Madden, D.R, Garboczi, D.N, Wiley, D.C.
Deposit date:1993-06-30
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HHG
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BU of 1hhg by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), HIV-1 GP120 ENVELOPE PROTEIN (RESIDUES 195-207)
Authors:Madden, D.R, Garboczi, D.N, Wiley, D.C.
Deposit date:1993-06-30
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1HKA
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BU of 1hka by Molmil
6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
Authors:Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X.
Deposit date:1998-09-29
Release date:1999-06-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents.
Structure Fold.Des., 7, 1999
8ER7
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BU of 8er7 by Molmil
FKBP12-FRB in Complex with Compound 12
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ERA
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BU of 8era by Molmil
RMC-5552 in complex with mTORC1 and FKBP12
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER6
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BU of 8er6 by Molmil
FKBP12-FRB in Complex with Compound 11
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8G1U
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BU of 8g1u by Molmil
Structure of the methylosome-Lsm10/11 complex
Descriptor: ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ...
Authors:Lin, M, Paige, A, Tong, L.
Deposit date:2023-02-03
Release date:2023-08-23
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome.
Rna, 29, 2023
3KFA
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BU of 3kfa by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
3K4Z
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BU of 3k4z by Molmil
Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA
Descriptor: 1-O-phosphono-beta-D-glucopyranose, Glycoside hydrolase family 9, MAGNESIUM ION, ...
Authors:Alahuhta, P.M, Xu, Q, Himmel, M.E, Lunin, V.V.
Deposit date:2009-10-06
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.
J.Mol.Biol., 402, 2010
3JXT
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BU of 3jxt by Molmil
Crystal structure of the third PDZ domain of SAP-102 in complex with a fluorogenic peptide-based ligand
Descriptor: ACETATE ION, Disks large homolog 3, Voltage-dependent calcium channel gamma-2 subunit
Authors:Sainlos, M, Olivier, N.B, Imperiali, B.
Deposit date:2009-09-21
Release date:2010-09-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caged mono- and divalent ligands for light-assisted disruption of PDZ domain-mediated interactions.
J.Am.Chem.Soc., 135, 2013
3KF4
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BU of 3kf4 by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Descriptor: N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine, Tyrosine-protein kinase ABL1
Authors:Zhou, T.
Deposit date:2009-10-27
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
3MPC
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BU of 3mpc by Molmil
The crystal structure of a Fn3-like protein from Clostridium thermocellum
Descriptor: Fn3-like protein, SULFATE ION
Authors:Alahuhta, M.P, Xu, Q, Brunecky, R, Lunin, V.V.
Deposit date:2010-04-26
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a fibronectin type III-like module from Clostridium thermocellum.
Acta Crystallogr.,Sect.F, 66, 2010
1DAD
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BU of 1dad by Molmil
DETHIOBIOTIN SYNTHETASE COMPLEXED WITH ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DETHIOBIOTIN SYNTHETASE
Authors:Huang, W, Jia, J, Schneider, G, Lindqvist, Y.
Deposit date:1995-05-08
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995

221716

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