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6WVZ
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BU of 6wvz by Molmil
Crystal structure of anti-MET Fab arm of amivantamab in complex with human MET
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cardoso, R.M.F.
Deposit date:2020-05-07
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET.
J.Biol.Chem., 296, 2021
6NY2
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BU of 6ny2 by Molmil
CasX-gRNA-DNA(45bp) state I
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NY3
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BU of 6ny3 by Molmil
CasX ternary complex with 30bp target DNA
Descriptor: CasX, DNA Non-target strand, DNA target strand, ...
Authors:Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
Deposit date:2019-02-10
Release date:2019-02-27
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
Authors:Klei, H.E.
Deposit date:2008-09-25
Release date:2008-12-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
5HPE
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BU of 5hpe by Molmil
Phosphatase domain of PP5 bound to a phosphomimetic Cdc37 substrate peptide
Descriptor: COBALT HEXAMMINE(III), MANGANESE (II) ION, Serine/threonine-protein phosphatase 5,Hsp90 co-chaperone Cdc37
Authors:Oberoi, J, Mariotti, L, Vaughan, C.
Deposit date:2016-01-20
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural and functional basis of protein phosphatase 5 substrate specificity.
Proc.Natl.Acad.Sci.USA, 113, 2016
3BJM
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BU of 3bjm by Molmil
Crystal structure of human DPP-IV in complex with (1S,3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1- YL)ACETYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (CAS), (1S,3S,5S)-2-((2S)-2-AMINO-2-(3-HYDROXYADAMANTAN-1- YL)ACETYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (IUPAC), OR BMS-477118
Descriptor: (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
Authors:Klei, H.E.
Deposit date:2007-12-04
Release date:2008-04-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Involvement of DPP-IV catalytic residues in enzyme-saxagliptin complex formation.
Protein Sci., 17, 2008
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
Authors:Cupelli, K, Stehle, T.
Deposit date:2010-04-23
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
8FAU
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BU of 8fau by Molmil
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione
Descriptor: 4-phenyl-1,3-thiazole-2(3H)-thione, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Kohlbrand, A.J, Seo, H.
Deposit date:2022-11-28
Release date:2023-03-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
8FAL
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BU of 8fal by Molmil
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione
Descriptor: 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Kohlbrand, A.J, Seo, H.
Deposit date:2022-11-28
Release date:2023-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
5X6R
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BU of 5x6r by Molmil
Crystal structure of Saccharomyces cerevisiae KMO in complex with Ro 61-8048
Descriptor: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-23
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X68
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BU of 5x68 by Molmil
Crystal Structure of Human KMO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-21
Release date:2018-02-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
5X6P
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BU of 5x6p by Molmil
Crystal structure of Pseudomonas fluorescens KMO
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-22
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
3OCX
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BU of 3ocx by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 2'-AMP
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OCW
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BU of 3ocw by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 3'-AMP
Descriptor: Lipoprotein E, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
Descriptor: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
Authors:Murray, J.M.
Deposit date:2020-10-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.286 Å)
Cite:Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Murray, J.M.
Deposit date:2020-10-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
3OCV
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BU of 3ocv by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with 5'-AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OCY
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BU of 3ocy by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase Complexed with inorganic phosphate
Descriptor: Lipoprotein E, MAGNESIUM ION, PHOSPHATE ION
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OCU
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BU of 3ocu by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with NMN
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
Authors:Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
Deposit date:2010-08-10
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
5X6Q
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BU of 5x6q by Molmil
Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048
Descriptor: 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Kim, H.T, Hwang, K.Y.
Deposit date:2017-02-23
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
2VZ4
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BU of 2vz4 by Molmil
The N-terminal domain of MerR-like protein TipAL bound to promoter DNA
Descriptor: 5'-D(*CP*TP*CP*CP*TP*CP*AP*CP*GP*TP *CP*AP*CP*GP*TP*GP*AP*GP*GP*TP*G)-3', HTH-TYPE TRANSCRIPTIONAL ACTIVATOR TIPA
Authors:Allan, M.G, Stetefeld, J, Schirmer, T.
Deposit date:2008-07-30
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Transcriptionally Inactive Merr Domain Tipan in Complex with DNA
To be Published
3QCC
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BU of 3qcc by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with vanadate, orthorhombic crystal form
Descriptor: Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCH
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BU of 3qch by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide
Descriptor: 3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCI
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BU of 3qci by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide
Descriptor: N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide, Receptor-type tyrosine-protein phosphatase gamma
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011
3QCD
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BU of 3qcd by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with vanadate, trigonal crystal form
Descriptor: ACETIC ACID, Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION
Authors:Sheriff, S.
Deposit date:2011-01-16
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop
J.Med.Chem., 54, 2011

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