4V1L
 
 | | High resolution structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 | | Descriptor: | CARBOHYDRATE BINDING MODULE, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-09-29 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6L15
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-27 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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8DQG
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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7A10
 | | LppS with covalent adduct derived from 1g | | Descriptor: | 4-methoxycyclohexa-2,5-diene-1-thione, L,D-transpeptidase 2 | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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5W9S
 | | Zinc finger of human CXXC5 in complex with CpG DNA | | Descriptor: | CXXC-type zinc finger protein 5, CpG DNA fragment, SULFATE ION, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-23 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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7A11
 | | LppS with covalent adduct derived from 1E | | Descriptor: | ACETATE ION, L,D-transpeptidase 2, propane-1-thiol | | Authors: | Schnell, R, Steiner, E.M. | | Deposit date: | 2020-08-11 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.
Cell Chem Biol, 28, 2021
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8GEP
 | | SULFITE REDUCTASE HEMOPROTEIN NITRATE COMPLEX | | Descriptor: | IRON/SULFUR CLUSTER, NITRATE ION, POTASSIUM ION, ... | | Authors: | Crane, B.R, Getzoff, E.D. | | Deposit date: | 1997-07-11 | | Release date: | 1998-01-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
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7A1C
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4V78
 | | E. coli 70S-fMetVal-tRNAVal-tRNAfMet complex in intermediate post-translocation state (post3a) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | | Deposit date: | 2013-10-14 | | Release date: | 2014-07-09 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome.
Nat.Struct.Mol.Biol., 20, 2013
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6U6L
 | | BRD4-BD2 in complex with the cyclic peptide 3.1_2 | | Descriptor: | AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ... | | Authors: | Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P. | | Deposit date: | 2019-08-30 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8DQI
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 2- weeks of crystal growth | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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8DQH
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to ATP and acridone after 24 hours of crystal growth | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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4M7F
 | | Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with bound ManNAc | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Shrive, A.K, Greenhough, T.J, Holmskov, U. | | Deposit date: | 2013-08-12 | | Release date: | 2013-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Tetrameric Fibrinogen-like Recognition Domain of Fibrinogen C Domain Containing 1 (FIBCD1) Protein.
J.Biol.Chem., 289, 2014
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8DQJ
 | | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (AST) bound to ATP and acridone | | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity.
Acs Chem.Biol., 17, 2022
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5WGD
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-LP1 | | Descriptor: | (ACE)AILHKLLQDS(NH2), (ACE)HKILHKLLQDS(NH2), ESTRADIOL, ... | | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W. | | Deposit date: | 2017-07-14 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A "cross-stitched" peptide with improved helicity and proteolytic stability.
Org. Biomol. Chem., 16, 2018
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7Y04
 | | Hsp90-AhR-p23 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aryl hydrocarbon receptor, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | | Deposit date: | 2022-06-03 | | Release date: | 2023-01-04 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
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5WHH
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6KO9
 | | Crystal structure of the Gefitinib Intermediate 1 bound RamR determined with XtaLAB Synergy | | Descriptor: | 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-ol, Putative regulatory protein, SULFATE ION | | Authors: | Matsumoto, T, Nakashima, R, Yamano, A, Nishino, K. | | Deposit date: | 2019-08-08 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Development of a structure determination method using a multidrug-resistance regulator protein as a framework.
Biochem.Biophys.Res.Commun., 518, 2019
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6L12
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-27 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6KO8
 | | Crystal structure of the Cholic acid bound RamR determined with XtaLAB Synergy | | Descriptor: | CHOLIC ACID, Putative regulatory protein, SULFATE ION | | Authors: | Matsumoto, T, Nakashima, R, Yamano, A, Nishino, K. | | Deposit date: | 2019-08-08 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of a structure determination method using a multidrug-resistance regulator protein as a framework.
Biochem.Biophys.Res.Commun., 518, 2019
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3P2T
 | | Crystal Structure of Leukocyte Ig-like Receptor LILRB4 (ILT3/LIR-5/CD85k) | | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily B member 4, SULFATE ION | | Authors: | Chen, Y, Nam, G, Cheng, H, Zhang, J.H, Willcox, B.E, Gao, G.F. | | Deposit date: | 2010-10-04 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Crystal structure of leukocyte Ig-like receptor LILRB4 (ILT3/LIR-5/CD85k): a myeloid inhibitory receptor involved in immune tolerance
J.Biol.Chem., 286, 2011
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2QJN
 | | Crystal structure of D-mannonate dehydratase from Novosphingobium aromaticivorans complexed with Mg and 2-keto-3-deoxy-D-gluconate | | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2007-07-08 | | Release date: | 2007-10-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
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3SOX
 | | Structure of UHRF1 PHD finger in the free form | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | | Authors: | Rajakumara, E, Patel, D.J. | | Deposit date: | 2011-06-30 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6501 Å) | | Cite: | PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011
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1ML3
 | | Evidences for a flip-flop catalytic mechanism of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, from its crystal structure in complex with reacted irreversible inhibitor 2-(2-phosphono-ethyl)-acrylic acid 4-nitro-phenyl ester | | Descriptor: | (3-FORMYL-BUT-3-ENYL)-PHOSPHONIC ACID, Glyceraldehyde 3-phosphate dehydrogenase, glycosomal, ... | | Authors: | Castilho, M.S, Pavao, F, Oliva, G. | | Deposit date: | 2002-08-29 | | Release date: | 2003-07-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evidence for the Two Phosphate Binding Sites of an Analogue of the Thioacyl Intermediate for the Trypanosoma cruzi Glyceraldehyde-3-phosphate Dehydrogenase-Catalyzed Reaction, from Its Crystal Structure.
Biochemistry, 42, 2003
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6L16
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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