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2MMM
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BU of 2mmm by Molmil
Solution structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito
Descriptor: K cecropin-like peptide
Authors:Padilla, A, Misse, D.
Deposit date:2014-03-16
Release date:2015-01-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Aedesin: structure and antimicrobial activity against multidrug resistant bacterial strains.
Plos One, 9, 2014
8U2E
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BU of 8u2e by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
7NAB
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BU of 7nab by Molmil
Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165
Descriptor: CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2021-06-21
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern.
Cell Rep, 38, 2022
6TYY
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BU of 6tyy by Molmil
Hedgehog autoprocessing mutant D46H
Descriptor: Protein hedgehog
Authors:Li, H, Li, Z, Wang, C, Callahan, B.P.
Deposit date:2019-08-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
8ECZ
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BU of 8ecz by Molmil
Bovine Fab 4C1
Descriptor: 4C1 Fab heavy chain, 4C1 Fab light chain, PHOSPHATE ION
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECQ
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BU of 8ecq by Molmil
Bovine Fab 2G3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G3 Fab Heavy chain, 2G3 Fab Light chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ED1
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BU of 8ed1 by Molmil
Bovine Fab 5C1
Descriptor: 5C1 Fab heavy chain, 5C1 Fab light chain, GLYCEROL, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECV
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BU of 8ecv by Molmil
Bovine Fab 2F12
Descriptor: 2F12 Fab Heavy chain, 2F12 Fab Light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-02
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WYJ
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BU of 4wyj by Molmil
Adenovirus 3 head domain mutant V239D
Descriptor: Fiber protein, SULFATE ION
Authors:Lieber, A, Zubieta, C, Fender, P.
Deposit date:2014-11-17
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin.
Mol Ther Methods Clin Dev, 2, 2015
6C00
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BU of 6c00 by Molmil
Solution structure of translation initiation factor 1 from Clostridium difficile
Descriptor: Translation initiation factor IF-1
Authors:Zhang, Y, Aguilar, F.
Deposit date:2017-12-26
Release date:2019-01-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H,13C and15N resonance assignments and structure prediction of translation initiation factor 1 from Clostridium difficile.
Biomol.Nmr Assign., 13, 2019
6F6O
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BU of 6f6o by Molmil
Structure of Adenovirus 3 fiber head V239D mutant
Descriptor: Fiber protein
Authors:Zubieta, C, Fender, P, Stermann, E, Lieber, A.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin.
Mol Ther Methods Clin Dev, 2, 2015
4EJM
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BU of 4ejm by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021 bound to NADP
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative zinc-binding dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-04-06
Release date:2012-05-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of a putative zinc-binding dehydrogenase (target nysgrc-012003) from sinorhizobium meliloti 1021 bound to NADP
To be Published
4EJ6
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BU of 4ej6 by Molmil
Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from Sinorhizobium meliloti 1021
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative zinc-binding dehydrogenase, ...
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-04-06
Release date:2012-05-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a putative zinc-binding dehydrogenase from Sinorhizobium meliloti 1021
To be Published
3AWT
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BU of 3awt by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 20 hr: occupancy of Cu(II) is high
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWY
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BU of 3awy by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie M84L mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWW
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BU of 3aww by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 80 hr: occupancy of CuA is high
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWV
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BU of 3awv by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 80 hr: occupancy of CuA is low
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWS
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BU of 3aws by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 20 hr: occupancy of Cu(II) is low
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AX0
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BU of 3ax0 by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie Y98F mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWZ
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BU of 3awz by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie H97Q mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWU
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BU of 3awu by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie soaked in a Cu(II)-containing solution for 40 h
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011
3AWX
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BU of 3awx by Molmil
Crystal structure of Streptomyces tyrosinase in a complex with caddie H82Q mutant soaked in a Cu(II)-containing solution for 80 hr
Descriptor: COPPER (II) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2011-03-26
Release date:2011-06-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A molecular mechanism for copper transportation to tyrosinase that is assisted by a metallochaperone, caddie protein
J.Biol.Chem., 286, 2011

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PDB entries from 2024-10-16

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