6BB2
 
 | | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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6PE4
 | | Yeast Vo motor in complex with 1 VopQ molecule | | Descriptor: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | | Authors: | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | | Deposit date: | 2019-06-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
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8J54
 | | Crystal structure of RXR/DR2 complex | | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ... | | Authors: | Chen, Y, Jiang, L. | | Deposit date: | 2023-04-21 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
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6P4F
 | | Crystal structure of the XPB-Bax1-forked DNA ternary complex | | Descriptor: | CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ... | | Authors: | He, F, Hilario, E, Fan, L. | | Deposit date: | 2019-05-27 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA.
Nucleic Acids Res., 48, 2020
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6BAG
 | | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-12 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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6BB0
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6BAZ
 | | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | | Descriptor: | (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | | Authors: | Ultsch, M, Eigenbrot, C. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
To Be Published
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6PE5
 | | Yeast Vo motor in complex with 2 VopQ molecules | | Descriptor: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | | Authors: | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | | Deposit date: | 2019-06-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
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6BAD
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8GYB
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8GYA
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6BAX
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1T31
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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4QP0
 | | Crystal Structure Analysis of the Endo-1,4-beta-mannanase from Rhizomucor miehei | | Descriptor: | Endo-beta-mannanase, SULFATE ION | | Authors: | Zheng, Q.J, Peng, Z, Liu, Y, Yan, Q.J, Chen, Z.Z, Qin, Z. | | Deposit date: | 2014-06-22 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
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1RYG
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1RYV
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3C1X
 | | Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-MET in complex with a Pyrrolotriazine based inhibitor | | Descriptor: | Hepatocyte growth factor receptor, N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide | | Authors: | Sack, J. | | Deposit date: | 2008-01-24 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Identification of pyrrolo[2,1-f][1,2,4]triazine-based inhibitors of Met kinase.
Bioorg.Med.Chem.Lett., 18, 2008
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6U3M
 | | DQ2-P.fluor-alpha1a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha1a peptide, ... | | Authors: | Petersen, J, Rossjohn, J. | | Deposit date: | 2019-08-22 | | Release date: | 2019-12-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease.
Nat.Struct.Mol.Biol., 27, 2020
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1YJX
 | | Crystal structure of human B type phosphoglycerate mutase | | Descriptor: | CHLORIDE ION, CITRIC ACID, Phosphoglycerate mutase 1 | | Authors: | Wang, Y, Wei, Z, Liu, L, Gong, W. | | Deposit date: | 2005-01-16 | | Release date: | 2005-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human B-type phosphoglycerate mutase bound with citrate.
Biochem.Biophys.Res.Commun., 331, 2005
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1C6Z
 | | ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP. | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEIN (PROTEASE) | | Authors: | Munshi, S. | | Deposit date: | 1999-12-28 | | Release date: | 2000-12-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
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4MY2
 | | Crystal Structure of Norrin in fusion with Maltose Binding Protein | | Descriptor: | Maltose-binding periplasmic protein, Norrin fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Ke, J, Jurecky, C, Chen, C, Gu, X, Parker, N, Williams, B.O, Melcher, K, Xu, H.E. | | Deposit date: | 2013-09-27 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and function of Norrin in assembly and activation of a Frizzled 4-Lrp5/6 complex.
Genes Dev., 27, 2013
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1C70
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6CDX
 | | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | | Descriptor: | cystine knot (fluoropropylated) | | Authors: | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | | Deposit date: | 2018-02-09 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
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1YIQ
 | | Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADHIIG from Pseudomonas putida HK5. Compariison to the other quinohemoprotein alcohol dehydrogenase ADHIIB found in the same microorganism. | | Descriptor: | CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ... | | Authors: | Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S. | | Deposit date: | 2005-01-12 | | Release date: | 2005-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADH-IIG from Pseudomonas putida HK5
J.Mol.Biol., 352, 2005
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1YFK
 | | Crystal structure of human B type phosphoglycerate mutase | | Descriptor: | CHLORIDE ION, CITRIC ACID, Phosphoglycerate mutase 1 | | Authors: | Wang, Y, Wei, Z, Liu, L, Gong, W. | | Deposit date: | 2005-01-02 | | Release date: | 2005-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human B-type phosphoglycerate mutase bound with citrate.
Biochem.Biophys.Res.Commun., 331, 2005
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