5Z7P
 
 | | SmChiA sliding-intermediate with chitotriose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A, GLYCEROL | | Authors: | Nakamura, A, Iino, R. | | Deposit date: | 2018-01-30 | | Release date: | 2018-09-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
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3PG2
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2W1Y
 | | THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 1.540 A wavelength 180 images data | | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | | Deposit date: | 2008-10-21 | | Release date: | 2008-11-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
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3PGI
 | | Endothiapepsin in complex with a fragment | | Descriptor: | Endothiapepsin, GLYCEROL, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-11-02 | | Release date: | 2011-10-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
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3PGL
 | | Crystal structure of human small C-terminal domain phosphatase 1 (Scp1) bound to rabeprazole | | Descriptor: | 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION | | Authors: | Zhang, M, Cho, E.J, Burstein, G, Siegel, D, Zhang, Y. | | Deposit date: | 2010-11-02 | | Release date: | 2011-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Selective inactivation of a human neuronal silencing phosphatase by a small molecule inhibitor.
Acs Chem.Biol., 6, 2011
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6JGG
 | | Crystal structure of barley exohydrolaseI W434F mutant in complex with methyl 2-thio-beta-sophoroside. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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1GUW
 | | STRUCTURE OF THE CHROMODOMAIN FROM MOUSE HP1beta IN COMPLEX WITH THE LYSINE 9-METHYL HISTONE H3 N-TERMINAL PEPTIDE, NMR, 25 STRUCTURES | | Descriptor: | CHROMOBOX PROTEIN HOMOLOG 1, HISTONE H3.1 | | Authors: | Nielsen, P.R, Nietlispach, D, Mott, H.R, Callaghan, J.M, Bannister, A, Kouzarides, T, Murzin, A.G, Murzina, N.V, Laue, E.D. | | Deposit date: | 2002-02-01 | | Release date: | 2002-03-12 | | Last modified: | 2025-04-09 | | Method: | SOLUTION NMR | | Cite: | Structure of the Hp1 Chromodomain Bound to Histone H3 Methylated at Lysine 9
Nature, 416, 2002
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2PL7
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2IM9
 | | Crystal structure of protein LPG0564 from Legionella pneumophila str. Philadelphia 1, Pfam DUF1460 | | Descriptor: | Hypothetical protein | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Powell, A, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-04 | | Release date: | 2006-10-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of hypothetical protein from Legionella pneumophila subsp. pneumophila str. Philadelphia 1
TO BE PUBLISHED
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2F4J
 | | Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680 | | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Young, M.A, Shah, N.P, Chao, L.H, Zarrinkar, P, Sawyers, P, Kuriyan, J. | | Deposit date: | 2005-11-23 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structure of the kinase domain of an imatinib-resistant Abl mutant in complex with the Aurora kinase inhibitor VX-680.
Cancer Res., 66, 2006
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5SZN
 | | Protocadherin gamma A9 extracellular cadherin domains 1-5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | | Deposit date: | 2016-08-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.944 Å) | | Cite: | gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
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1BIJ
 | | CROSSLINKED, DEOXY HUMAN HEMOGLOBIN A | | Descriptor: | BUT-2-ENEDIAL, HEMOGLOBIN A, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fernandez, E.J, Abad-Zapatero, C, Olsen, K.W. | | Deposit date: | 1998-06-18 | | Release date: | 1999-03-30 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Lysbeta(1)82-Lysbeta(2)82 crosslinked hemoglobin: a possible allosteric intermediate
J.Mol.Biol., 296, 2000
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4JKI
 | | Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ZD9331, Formylphosphate, and ADP | | Descriptor: | 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ... | | Authors: | Celeste, L.R, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2013-03-09 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
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1NN6
 | | Human Pro-Chymase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase | | Authors: | Reiling, K.K, Krucinski, J, Miercke, L.J.W, Raymond, W.W, Caughey, G.H, Stroud, R.M. | | Deposit date: | 2003-01-12 | | Release date: | 2003-03-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of human pro-chymase: a model for the activating transition of granule-associated proteases.
Biochemistry, 42, 2003
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6JGB
 | | Crystal structure of barley exohydrolaseI W286F mutant in complex with methyl 6-thio-beta-gentiobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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3PFV
 | | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide | | Descriptor: | 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-29 | | Release date: | 2010-12-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
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2J9C
 | | Structure of GlnK1 with bound effectors indicates regulatory mechanism for ammonia uptake | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yildiz, O, Kalthoff, C, Raunser, S, Kuehlbrandt, W. | | Deposit date: | 2006-11-07 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of Glnk1 with Bound Effectors Indicates Regulatory Mechanism for Ammonia Uptake.
Embo J., 26, 2007
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3KN2
 | | HCV NS3 Protease Domain with ketoamide inhibitor | | Descriptor: | (1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, HCV NS3 Protease Domain, Peptide KK-NS4A-KK, ... | | Authors: | Nair, L.G, Sannigrahi, M, Pinto, P, Bogen, S, Chen, K.X, Njoroge, G, Prongay, A. | | Deposit date: | 2009-11-11 | | Release date: | 2010-01-19 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile.
Bioorg.Med.Chem.Lett., 20, 2010
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2PLL
 | | Crystal structure of perdeuterated human arginase I | | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1 | | Authors: | Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W. | | Deposit date: | 2007-04-19 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expression, purification, assay, and crystal structure of perdeuterated human arginase I
Arch.Biochem.Biophys., 465, 2007
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2IL2
 | | Crystal Structure of Human Renin Complexed with Inhibitor | | Descriptor: | CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin | | Authors: | Mochalkin, I. | | Deposit date: | 2006-10-02 | | Release date: | 2006-12-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Anal.Biochem., 360, 2007
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3BEG
 | | Crystal structure of SR protein kinase 1 complexed to its substrate ASF/SF2 | | Descriptor: | ALANINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHOSERINE, ... | | Authors: | Ngo, J.C, Giang, K, Chakrabarti, S, Ma, C.-T, Huynh, N, Hagopian, J, Dorrestein, P.C, Fu, X.-D, Adams, J.A, Ghosh, G. | | Deposit date: | 2007-11-18 | | Release date: | 2008-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A sliding docking interaction is essential for sequential and
processive phosphorylation of an SR protein by SRPK1
Mol.Cell, 29, 2008
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2F57
 | | Crystal Structure Of The Human P21-Activated Kinase 5 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, Serine/threonine-protein kinase PAK 7 | | Authors: | Eswaran, J, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Bray, J, Das, S, Savitsky, P, Smee, C, Burgess, N, Fedorov, O, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Sundstrom, M, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-11-25 | | Release date: | 2005-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs.
Structure, 15, 2007
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2IN3
 | | Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Hypothetical protein, ... | | Authors: | Cuff, M.E, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-10-05 | | Release date: | 2006-11-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
To be Published
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6J8H
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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2F6F
 | | The structure of the S295F mutant of human PTP1B | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ... | | Authors: | Montalibet, J, Skorey, K, McKay, D, Scapin, G, Asante-Appiah, E, Kennedy, B.P. | | Deposit date: | 2005-11-29 | | Release date: | 2005-12-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Residues distant from the active site influence protein-tyrosine phosphatase 1B inhibitor binding.
J.Biol.Chem., 281, 2006
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