8C8P
 
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4H55
 | | Crystal structure of Canavalia brasiliensis seed lectin (ConBr) in complex with beta-d-ribofuranose | | Descriptor: | CALCIUM ION, Concanavalin-Br, D-ALPHA-AMINOBUTYRIC ACID, ... | | Authors: | Salviano, E, Rocha, B.A.M, Cavada, B.S, Delatorre, P, Santi-Gadelha, T, Gadelha, C.A.A, Silva-Filho, J.C, Nobrega, R.B, Farias, D.L. | | Deposit date: | 2012-09-18 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of Canavalia brasiliensis seed lectin (ConBr) in complex with beta-d-ribofuranose
TO BE PUBLISHED
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6GJ4
 | | Tubulin-6j complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ... | | Authors: | Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S. | | Deposit date: | 2018-05-16 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
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1LEV
 | | PORCINE KIDNEY FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH AN AMP-SITE INHIBITOR | | Descriptor: | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID, 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, ... | | Authors: | Wright, S.W, Carlo, A.A, Danley, D.E, Hageman, D.L, Karam, G.A, Mansour, M.N, McClure, L.D, Pandit, J, Schulte, G.K, Treadway, J.L, Wang, I.-K, Bauer, P.H. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid: an allosteric inhibitor of fructose-1,6-bisphosphatase at the AMP site.
Bioorg.Med.Chem.Lett., 13, 2003
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8U45
 | | Crystal Structure Analysis of Aspergillus fumigatus alkaline protease | | Descriptor: | Alkaline protease 1, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Fernandez, D, Diec, D.D.L, Guo, W, Russi, S. | | Deposit date: | 2023-09-08 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
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4AWJ
 | | pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | | Descriptor: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | | Authors: | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | Deposit date: | 2012-06-04 | | Release date: | 2012-11-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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4B55
 | | Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols | | Descriptor: | 3-hydroxy-1-phenylpropan-1-one, ARYLAMINE N-ACETYLTRANSFERASE NAT | | Authors: | Abuhammad, A, Fullam, E, Lowe, E.D, Staunton, D, Kawamura, A, Westwood, I.M, Bhakta, S, Garner, A.C, Wilson, D.L, Seden, P.T, Davies, S.G, Russell, A.J, Garman, E.F, Sim, E. | | Deposit date: | 2012-08-02 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Piperidinols that Show Anti-Tubercular Activity as Inhibitors of Arylamine N-Acetyltransferase: An Essential Enzyme for Mycobacterial Survival Inside Macrophages.
Plos One, 7, 2012
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8UH7
 | | Structure of T4 Bacteriophage clamp loader bound to the T4 clamp, primer-template DNA, and ATP analog | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Primer DNA strand, ... | | Authors: | Gee, C.L, Marcus, K, Kelch, B.A, Makino, D.L. | | Deposit date: | 2023-10-07 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.628 Å) | | Cite: | Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
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1K0L
 | | Pseudomonas aeruginosa phbh R220Q free of p-OHB | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ... | | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | | Deposit date: | 2001-09-19 | | Release date: | 2002-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1LRQ
 | | Aquifex aeolicus KDO8P synthase H185G mutant in complex with PEP, A5P and Cadmium | | Descriptor: | ARABINOSE-5-PHOSPHATE, CADMIUM ION, KDO-8-phosphate synthetase, ... | | Authors: | Wang, J, Duewel, H.S, Stuckey, J.A, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2002-05-15 | | Release date: | 2002-11-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Function of His185 in Aquifex aeolicus 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
J.Mol.Biol., 324, 2002
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1KZ8
 | | CRYSTAL STRUCTURE OF PORCINE FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH A NOVEL ALLOSTERIC-SITE INHIBITOR | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE, ... | | Authors: | Wright, S.W, Carlo, A.A, Carty, M.D, Danley, D.E, Hageman, D.L, Karam, G.A, Levy, C.B, Mansour, M.N, Mathiowetz, A.M, McClure, L.D, Nestor, N.B, McPherson, R.K, Pandit, J, Pustilnik, L.R, Schulte, G.K, Soeller, W.C, Treadway, J.L, Wang, I.-K, Bauer, P.H. | | Deposit date: | 2002-02-06 | | Release date: | 2002-10-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ANILINOQUINAZOLINE INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE BIND AT A NOVEL ALLOSTERIC SITE: SYNTHESIS, IN VITRO CHARACTERIZATION, AND X-RAY CRYSTALLOGRAPHY
J.MED.CHEM., 45, 2002
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4KT1
 | | Complex of R-spondin 1 with LGR4 extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4, ... | | Authors: | Wang, X.Q, Wang, D.L. | | Deposit date: | 2013-05-19 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Structural basis for R-spondin recognition by LGR4/5/6 receptors
Genes Dev., 27, 2013
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1IUV
 | | P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 5.0 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | | Authors: | Gatti, D.L, Entsch, B, Ballou, D.P, Ludwig, M.L. | | Deposit date: | 1995-11-22 | | Release date: | 1996-06-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | pH-dependent structural changes in the active site of p-hydroxybenzoate hydroxylase point to the importance of proton and water movements during catalysis.
Biochemistry, 35, 1996
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3BX8
 | | Engineered Human Lipocalin 2 (LCN2), apo-form | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ENGINEERED HUMAN LIPOCALIN 2, PENTAETHYLENE GLYCOL | | Authors: | Schonfeld, D.L, Chatwell, L, Skerra, A. | | Deposit date: | 2008-01-11 | | Release date: | 2009-01-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
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7Y99
 | | Crystal Structure Analysis of cp2 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-24 | | Release date: | 2023-09-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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3ZTC
 | | pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide | | Descriptor: | (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | | Authors: | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | Deposit date: | 2011-07-06 | | Release date: | 2012-07-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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1JK0
 | | Ribonucleotide reductase Y2Y4 heterodimer | | Descriptor: | ZINC ION, ribonucleoside-diphosphate reductase small chain 1, ribonucleoside-diphosphate reductase small chain 2 | | Authors: | Voegtli, W.C, Perlstein, D.L, Ge, J, Stubbe, J, Rosenzweig, A.C. | | Deposit date: | 2001-07-10 | | Release date: | 2001-09-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the yeast ribonucleotide reductase Y2Y4 heterodimer.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1JJF
 | | STRUCTURAL BASIS FOR THE SUBSTRATE SPECIFICITY OF THE FERULOYL ESTERASE DOMAIN OF THE CELLULOSOMAL XYLANASE Z OF CLOSTRIDIUM THERMOCELLUM | | Descriptor: | ENDO-1,4-BETA-XYLANASE Z, PLATINUM (II) ION | | Authors: | Schubot, F.D, Kataeva, I.A, Blum, D.L, Shah, A.K, Ljungdahl, L.G, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2001-07-05 | | Release date: | 2001-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for the substrate specificity of the feruloyl esterase domain of the cellulosomal xylanase Z from Clostridium thermocellum.
Biochemistry, 40, 2001
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7XI3
 | | Crystal Structure of the NPAS4-ARNT2 heterodimer in complex with DNA | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator 2, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ... | | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | | Deposit date: | 2022-04-11 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (4.274 Å) | | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4HC7
 | | Crystal structure of the full DNA binding domain of GATA3-complex 2 | | Descriptor: | DNA (5'-D(*AP*AP*GP*GP*TP*TP*AP*TP*CP*TP*CP*TP*GP*AP*TP*TP*TP*AP*GP*G)-3'), DNA (5'-D(*TP*TP*CP*CP*TP*AP*AP*AP*TP*CP*AP*GP*AP*GP*AP*TP*AP*AP*CP*C)-3'), Trans-acting T-cell-specific transcription factor GATA-3, ... | | Authors: | Chen, Y, Bates, D.L, Dey, R, Chen, L. | | Deposit date: | 2012-09-28 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | DNA Binding by GATA Transcription Factor Suggests Mechanisms of DNA Looping and Long-Range Gene Regulation.
Cell Rep, 2, 2012
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7XI4
 | | Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), ... | | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (4.707 Å) | | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XHV
 | | Crystal Structure of the NPAS4-ARNT heterodimer in complex with DNA | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(P*CP*CP*AP*TP*CP*AP*CP*TP*CP*AP*CP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*TP*GP*AP*T)-3'), ... | | Authors: | Sun, X.N, Jing, L.Q, Li, F.W, Wu, D.L. | | Deposit date: | 2022-04-10 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.996 Å) | | Cite: | Structures of NPAS4-ARNT and NPAS4-ARNT2 heterodimers reveal new dimerization modalities in the bHLH-PAS transcription factor family.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YAA
 | | Crystal structure analysis of cp3 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7Y8D
 | | Crystal structure of cp1 bound BCLxl | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YA5
 | | Crystal structure analysis of cp1 bound BCL2/G101V | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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