7SU1
 
 | | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ... | | Authors: | Lee, P.S, Chau, B, Strop, P. | | Deposit date: | 2021-11-15 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
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6HGX
 | | Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea | | Descriptor: | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | | Deposit date: | 2018-08-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
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6HGV
 | | Soluble epoxide hydrolase in complex with talinolol | | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, R-Talinolol | | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | | Deposit date: | 2018-08-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
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5EOT
 | | Structure of HLA-A2:01 with peptide G13E | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Zajonc, D.M, Remesh, S.G. | | Deposit date: | 2015-11-10 | | Release date: | 2016-12-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
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4DOL
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4DOO
 | | Crystal structure of Arabidopsis thaliana fatty-acid binding protein At3g63170 (AtFAP1) | | Descriptor: | Chalcone-flavanone isomerase family protein, LAURIC ACID, POTASSIUM ION | | Authors: | Noel, J.P, Pojer, F, Louie, G.V, Bowman, M.E. | | Deposit date: | 2012-02-09 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis.
Nature, 485, 2012
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7USQ
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7USO
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7USP
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5WBQ
 | | Structure of human Ketohexokinase complexed with hits from fragment screening | | Descriptor: | 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ... | | Authors: | Pandit, J. | | Deposit date: | 2017-06-29 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
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6RQE
 | | CYP121 in complex with 3-acetylene dicyclotyrosine | | Descriptor: | 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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6RQ8
 | | CYP121 in complex with 3-iodo dicyclotyrosine | | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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5WBO
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5FA4
 | | Structure of HLA-A2:01 with peptide Y16R | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Remesh, S.G, Zajonc, D.M. | | Deposit date: | 2015-12-10 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
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1BCY
 | | RECOMBINANT RAT ANNEXIN V, T72K MUTANT | | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | | Authors: | Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A. | | Deposit date: | 1998-05-04 | | Release date: | 1998-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
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1BC1
 | | RECOMBINANT RAT ANNEXIN V, QUADRUPLE MUTANT (T72K, S144K, S228K, S303K) | | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | | Authors: | Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A. | | Deposit date: | 1998-05-04 | | Release date: | 1998-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
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1BCZ
 | | RECOMBINANT RAT ANNEXIN V, T72S MUTANT | | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | | Authors: | Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A. | | Deposit date: | 1998-05-04 | | Release date: | 1998-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
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1BCW
 | | RECOMBINANT RAT ANNEXIN V, T72A MUTANT | | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | | Authors: | Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A. | | Deposit date: | 1998-05-04 | | Release date: | 1998-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
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1BC3
 | | RECOMBINANT RAT ANNEXIN V, TRIPLE MUTANT (T72K, S144K, S228K) | | Descriptor: | ANNEXIN V, CALCIUM ION, SULFATE ION | | Authors: | Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A. | | Deposit date: | 1998-05-04 | | Release date: | 1998-11-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
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5FDW
 | | Structure of HLA-A2:01 with peptide Y10L | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Zajonc, D.M, Remesh, S.G. | | Deposit date: | 2015-12-16 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unconventional Peptide Presentation by Major Histocompatibility Complex (MHC) Class I Allele HLA-A*02:01: BREAKING CONFINEMENT.
J. Biol. Chem., 292, 2017
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4DOI
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4DOK
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2Q85
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4E4X
 | | Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | | Descriptor: | N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-03-13 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 22, 2012
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2LFB
 | | HOMEODOMAIN FROM RAT LIVER LFB1/HNF1 TRANSCRIPTION FACTOR, NMR, 20 STRUCTURES | | Descriptor: | LFB1/HNF1 TRANSCRIPTION FACTOR | | Authors: | Schott, O, Billeter, M, Leiting, B, Wider, G, Wuthrich, K. | | Deposit date: | 1996-12-12 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The NMR solution structure of the non-classical homeodomain from the rat liver LFB1/HNF1 transcription factor.
J.Mol.Biol., 267, 1997
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