7BCS
 
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | | Descriptor: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6H8P
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer) | | Descriptor: | CHLORIDE ION, GLYCEROL, Histone H1.4, ... | | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | | Deposit date: | 2018-08-03 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
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7AG0
 | | Complex between the bone morphogenetic protein 2 and its antagonist Noggin | | Descriptor: | Bone morphogenetic protein 2, GLYCEROL, Noggin | | Authors: | Robert, C, Bruck, F, Herman, R, Vandevenne, M, Filee, P, Kerff, F, Matagne, A. | | Deposit date: | 2020-09-21 | | Release date: | 2022-04-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.104 Å) | | Cite: | Structural analysis of the interaction between human cytokine BMP-2 and the antagonist Noggin reveals molecular details of cell chondrogenesis inhibition.
J.Biol.Chem., 299, 2023
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1FCG
 | | ECTODOMAIN OF HUMAN FC GAMMA RECEPTOR, FCGRIIA | | Descriptor: | PROTEIN (FC RECEPTOR FC(GAMMA)RIIA) | | Authors: | Maxwell, K.F, Powell, M.S, Garrett, T.P, Hogarth, P.M. | | Deposit date: | 1999-04-07 | | Release date: | 2000-04-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the human leukocyte Fc receptor, Fc gammaRIIa.
Nat.Struct.Biol., 6, 1999
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1SRL
 | | 1H AND 15N ASSIGNMENTS AND SECONDARY STRUCTURE OF THE SRC SH3 DOMAIN | | Descriptor: | SRC TYROSINE KINASE SH3 DOMAIN | | Authors: | Yu, H, Rosen, M.K, Shin, T.B, Seidel-Dugan, C, Brugge, J.S, Schreiber, S.L. | | Deposit date: | 1994-03-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 1H and 15N assignments and secondary structure of the Src SH3 domain.
FEBS Lett., 324, 1993
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6W7I
 | | LmFPPS mutant T164W in complex with 476A, IPP & Ca | | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | | Deposit date: | 2020-03-19 | | Release date: | 2020-10-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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4A5V
 | | Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4 | | Descriptor: | MICRONEMAL PROTEIN 4 | | Authors: | Marchant, J, Cowper, B, Liu, Y, Lai, L, Pinzan, C, Marq, J.B, Friedrich, N, Sawmynaden, K, Chai, W, Childs, R.A, Saouros, S, Simpson, P, Barreira, M.C.R, Feizi, T, Soldati-Favre, D, Matthews, S. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-04 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Galactose Recognition by the Apicomplexan Parasite Toxoplasma Gondii.
J.Biol.Chem., 287, 2012
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1SOM
 | | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY NERVE AGENT GD (SOMAN). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, METHYLPHOSPHONIC ACID ESTER GROUP, PROTEIN (ACETYLCHOLINESTERASE), ... | | Authors: | Greenblatt, H.M, Millard, C.B, Sussman, J.L, Silman, I. | | Deposit date: | 1999-03-17 | | Release date: | 1999-06-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level.
Biochemistry, 38, 1999
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2FOE
 | | Structure of porcine pancreatic elastase in 80% hexane | | Descriptor: | (2S)-HEX-5-ENE-1,2-DIOL, CALCIUM ION, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2B90
 | | Crystal structure of the interleukin-4 variant T13DR85A | | Descriptor: | Interleukin-4, SULFATE ION | | Authors: | Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D. | | Deposit date: | 2005-10-10 | | Release date: | 2006-05-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
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3GE7
 | | tRNA-guanine transglycosylase in complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | | Authors: | Ritschel, T, Heine, A, Klebe, G. | | Deposit date: | 2009-02-25 | | Release date: | 2009-12-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase
Chemmedchem, 4, 2009
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4MMZ
 | | Integrin AlphaVBeta3 ectodomain bound to an antagonistic tenth domain of Fibronectin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fibronectin, ... | | Authors: | van Agthoven, J, Xiong, J, Arnaout, M.A. | | Deposit date: | 2013-09-09 | | Release date: | 2014-03-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for pure antagonism of integrin alpha V beta 3 by a high-affinity form of fibronectin.
Nat.Struct.Mol.Biol., 21, 2014
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2B91
 | | Crystal structure of the interleukin-4 variant F82DR85A | | Descriptor: | Interleukin-4, SULFATE ION | | Authors: | Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D. | | Deposit date: | 2005-10-10 | | Release date: | 2006-05-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
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4WNW
 | | Human Cytochrome P450 2D6 Thioridazine Complex | | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ... | | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | | Deposit date: | 2014-10-14 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.299 Å) | | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
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6S30
 | | Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase | | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | | Deposit date: | 2019-06-23 | | Release date: | 2020-01-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6VJC
 | | LmFPPS mutant T164Y in complex with 476A, IPP & Ca | | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | | Deposit date: | 2020-01-15 | | Release date: | 2020-11-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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4EX8
 | | Crystal structure of the prealnumycin C-glycosynthase AlnA | | Descriptor: | AlnA, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M. | | Deposit date: | 2012-04-30 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2B8Z
 | | Crystal structure of the interleukin-4 variant R85A | | Descriptor: | Interleukin-4, SULFATE ION | | Authors: | Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D. | | Deposit date: | 2005-10-10 | | Release date: | 2006-05-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
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3VMO
 | | Crystal structure of dextranase from Streptococcus mutans in complex with isomaltotriose | | Descriptor: | Dextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Okuyama, M, Mori, H, Funane, K, Kimura, A. | | Deposit date: | 2011-12-14 | | Release date: | 2012-02-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural elucidation of dextran degradation mechanism by streptococcus mutans dextranase belonging to glycoside hydrolase family 66
J.Biol.Chem., 287, 2012
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7K2B
 | | Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFA | | Descriptor: | ACE-ALA-ASP-GLU-GLU-THR-GLY-GLU-PHE-ALA-NH2, Kelch-like ECH-associated protein 1 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2O
 | | Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GABA-DPETGE] | | Descriptor: | (ABU)DPETGE, Kelch-like ECH-associated protein 1 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2H
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPETGE] | | Descriptor: | GLY-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1 | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2M
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GEPETGE] | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GEPETGE] | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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2FZJ
 | | New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives | | Descriptor: | 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Pace, J, Chisum, K, Rosowsky, A. | | Deposit date: | 2006-02-09 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Proteins, 65, 2006
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7K2J
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPEAGE] | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GDPEAGE] | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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