7KC6
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![BU of 7kc6 by Molmil](/molmil-images/mine/7kc6) | X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K | Descriptor: | Integrin alpha-L, LOVASTATIN, MAGNESIUM ION | Authors: | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | Deposit date: | 2020-10-05 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins To Be Published
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7JNI
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![BU of 7jni by Molmil](/molmil-images/mine/7jni) | Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ... | Authors: | Cherezov, V, Shaye, H, Han, G.W. | Deposit date: | 2020-08-04 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma. Proc.Natl.Acad.Sci.USA, 119, 2022
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7KMG
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![BU of 7kmg by Molmil](/molmil-images/mine/7kmg) | LY-CoV555 neutralizing antibody against SARS-CoV-2 | Descriptor: | GLYCEROL, LY-CoV555 Fab heavy chain, LY-CoV555 Fab light chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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7KMH
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![BU of 7kmh by Molmil](/molmil-images/mine/7kmh) | LY-CoV488 neutralizing antibody against SARS-CoV-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LY-CoV488 Fab heavy chain, ... | Authors: | Hendle, J, Pustilnik, A, Sauder, J.M, Boyles, J.S, Dickinson, C.D, Coleman, K.A. | Deposit date: | 2020-11-02 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The neutralizing antibody, LY-CoV555, protects against SARS-CoV-2 infection in nonhuman primates. Sci Transl Med, 13, 2021
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7L3N
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![BU of 7l3n by Molmil](/molmil-images/mine/7l3n) | SARS-CoV 2 Spike Protein bound to LY-CoV555 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV555 Fab heavy chain, ... | Authors: | Goldsmith, J.A, McLellan, J.S. | Deposit date: | 2020-12-18 | Release date: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection. Biorxiv, 2020
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1KZX
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![BU of 1kzx by Molmil](/molmil-images/mine/1kzx) | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (T54) | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 2002-02-08 | Release date: | 2003-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003
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1KZW
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![BU of 1kzw by Molmil](/molmil-images/mine/1kzw) | Solution structure of Human Intestinal Fatty acid binding protein | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (A54) | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 2002-02-08 | Release date: | 2003-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003
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1BJN
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![BU of 1bjn by Molmil](/molmil-images/mine/1bjn) | |
1H13
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![BU of 1h13 by Molmil](/molmil-images/mine/1h13) | Structure of a cold-adapted family 8 xylanase | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Van Petegem, F, Collins, T, Meuwis, M.A, Feller, G, Gerday, C, Van Beeumen, J. | Deposit date: | 2002-07-02 | Release date: | 2003-03-13 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Structure of a Cold-Adapted Family 8 Xylanase at 1.3 A Resolution: Structural Adaptations to Cold and Investigation of the Active Site J.Biol.Chem., 278, 2003
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7JWU
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![BU of 7jwu by Molmil](/molmil-images/mine/7jwu) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWV
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![BU of 7jwv by Molmil](/molmil-images/mine/7jwv) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7JWW
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![BU of 7jww by Molmil](/molmil-images/mine/7jww) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7KDT
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![BU of 7kdt by Molmil](/molmil-images/mine/7kdt) | |
1NC4
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![BU of 1nc4 by Molmil](/molmil-images/mine/1nc4) | Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Gd-DOTA | Descriptor: | (S)-2-(4-NITROBENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Corneillie, T.M, Fisher, A.J, Meares, C.F. | Deposit date: | 2002-12-04 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of two complexes of the rare-earth-DOTA-binding antibody 2D12.5: ligand generality from a chiral system. J.Am.Chem.Soc., 125, 2003
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1H14
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![BU of 1h14 by Molmil](/molmil-images/mine/1h14) | Structure of a cold-adapted family 8 xylanase | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Van Petegem, F, Collins, T, Meuwis, M.A, Feller, G, Gerday, C, Van Beeumen, J. | Deposit date: | 2002-07-02 | Release date: | 2003-03-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structure of a Cold-Adapted Family 8 Xylanase at 1.3 A Resolution: Structural Adaptations to Cold and Investigation of the Active Site J.Biol.Chem., 278, 2003
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1JKD
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![BU of 1jkd by Molmil](/molmil-images/mine/1jkd) | HUMAN LYSOZYME MUTANT WITH TRP 109 REPLACED BY ALA | Descriptor: | LYSOZYME, NITRATE ION | Authors: | Muraki, M, Harata, K, Goda, S, Nagahora, H. | Deposit date: | 1996-11-13 | Release date: | 1997-05-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Importance of van der Waals contact between Glu 35 and Trp 109 to the catalytic action of human lysozyme. Protein Sci., 6, 1997
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1EO8
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![BU of 1eo8 by Molmil](/molmil-images/mine/1eo8) | INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY (HEAVY CHAIN), ... | Authors: | Fleury, D, Gigant, B, Daniels, R.S, Skehel, J.J, Knossow, M, Bizebard, T. | Deposit date: | 2000-03-22 | Release date: | 2000-04-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural evidence for recognition of a single epitope by two distinct antibodies. Proteins, 40, 2000
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1GRC
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![BU of 1grc by Molmil](/molmil-images/mine/1grc) | |
7JWT
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![BU of 7jwt by Molmil](/molmil-images/mine/7jwt) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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1VHN
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![BU of 1vhn by Molmil](/molmil-images/mine/1vhn) | |
7JHK
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![BU of 7jhk by Molmil](/molmil-images/mine/7jhk) | Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 in unliganded form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hao, Y, Huang, X. | Deposit date: | 2020-07-20 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3436 Å) | Cite: | Structures and mechanism of human glycosyltransferase beta 1,3-N-acetylglucosaminyltransferase 2 (B3GNT2), an important player in immune homeostasis. J.Biol.Chem., 296, 2020
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1O6W
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![BU of 1o6w by Molmil](/molmil-images/mine/1o6w) | |
1JCO
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![BU of 1jco by Molmil](/molmil-images/mine/1jco) | Solution structure of the monomeric [Thr(B27)->Pro,Pro(B28)->Thr] insulin mutant (PT insulin) | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Keller, D, Clausen, R, Josefsen, K, Led, J.J. | Deposit date: | 2001-06-11 | Release date: | 2001-10-03 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Flexibility and bioactivity of insulin: an NMR investigation of the solution structure and folding of an unusually flexible human insulin mutant with increased biological activity. Biochemistry, 40, 2001
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7KQ7
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![BU of 7kq7 by Molmil](/molmil-images/mine/7kq7) | Crystal structure of IL21R in complex with an antibody Fab fragment | Descriptor: | Antibody heavy chain, Antibody light chain, Interleukin-21 receptor | Authors: | Mosyak, L, Svenson, K. | Deposit date: | 2020-11-13 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Combining random mutagenesis, structure-guided design and next-generation sequencing to mitigate polyreactivity of an anti-IL-21R antibody. Mabs, 13, 2021
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7JWS
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![BU of 7jws by Molmil](/molmil-images/mine/7jws) | Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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