4IJW
 
 | | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine | | Descriptor: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2012-12-23 | | Release date: | 2014-06-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014
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2X2J
 | | Crystal structure of the Gracilariopsis lemaneiformis alpha- 1,4-glucan lyase with deoxynojirimycin | | Descriptor: | 1-DEOXYNOJIRIMYCIN, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, CHLORIDE ION, ... | | Authors: | Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W. | | Deposit date: | 2010-01-13 | | Release date: | 2011-01-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
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5PGU
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5ONI
 | | LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | | Descriptor: | 1,4-BUTANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... | | Authors: | Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K. | | Deposit date: | 2017-08-03 | | Release date: | 2017-12-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
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2FTZ
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4RFL
 | | Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J. | | Deposit date: | 2014-09-26 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
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6KDO
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y/M184V/F160M:DNA:lamivudine 5'-triphosphate ternary complex | | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | Deposit date: | 2019-07-02 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.573 Å) | | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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2YCE
 | | Structure of an Archaeal fructose-1,6-bisphosphate aldolase with the catalytic Lys covalently bound to the carbinolamine intermediate of the substrate. | | Descriptor: | D-MANNITOL-1,6-DIPHOSPHATE, FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS 1 | | Authors: | Lorentzen, E, Siebers, B, Hensel, R, Pohl, E. | | Deposit date: | 2011-03-14 | | Release date: | 2011-04-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Mechanism of the Schiff Base Forming Fructose-1,6-Bisphosphate Aldolase: Structural Analysis of Reaction Intermediates.
Biochemistry, 44, 2005
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3KK6
 | | Crystal Structure of Cyclooxygenase-1 in complex with celecoxib | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ... | | Authors: | Sidhu, R.S. | | Deposit date: | 2009-11-04 | | Release date: | 2009-12-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4RFB
 | | 1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E.V, Halavaty, A, Dubrovska, I, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-09-25 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | 1.93 Angstrom Crystal Structure of Superantigen-like Protein from Staphylococcus aureus in Complex with Sialyl-Lewis X.
TO BE PUBLISHED
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4NKB
 | | Crystal Structure of the cryptic polo box (CPB)of ZYG-1 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | | Authors: | Shimanovskaya, E, Dong, G. | | Deposit date: | 2013-11-12 | | Release date: | 2014-08-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the C. elegans ZYG-1 Cryptic Polo Box Suggests a Conserved Mechanism for Centriolar Docking of Plk4 Kinases.
Structure, 22, 2014
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6KDK
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:dCTP ternary complex | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | Deposit date: | 2019-07-02 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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1BDM
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1ZAJ
 | | Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with mannitol-1,6-bisphosphate, a competitive inhibitor | | Descriptor: | D-MANNITOL-1,6-DIPHOSPHATE, Fructose-bisphosphate aldolase A | | Authors: | St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J. | | Deposit date: | 2005-04-06 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit.
J.Biol.Chem., 280, 2005
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7JPW
 | | Rabbit Cav1.1 in the presence of 100 micromolar (R)-(+)-Bay K8644 in nanodiscs at 3.2 Angstrom resolution | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | Authors: | Yan, N, Gao, S. | | Deposit date: | 2020-08-10 | | Release date: | 2020-11-18 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7JPL
 | | Rabbit Cav1.1 in the presence of 10 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | Authors: | Yan, N, Gao, S. | | Deposit date: | 2020-08-09 | | Release date: | 2020-11-18 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7JPK
 | | Rabbit Cav1.1 in the presence of 100 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.0 Angstrom resolution | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | | Authors: | Yan, N, Gao, S. | | Deposit date: | 2020-08-09 | | Release date: | 2020-11-18 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca v 1.1 by Dihydropyridine Compounds*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1QH8
 | | NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, AS-CRYSTALLIZED (MIXED OXIDATION) STATE | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | Authors: | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | Deposit date: | 1999-05-11 | | Release date: | 1999-11-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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6KDJ
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex | | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | Deposit date: | 2019-07-02 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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3AXE
 | | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in complex with cellotetraose (cellobiose density was observed) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase, CALCIUM ION, ... | | Authors: | Huang, J.W, Cheng, Y.S, Ko, T.P, Lin, C.Y, Lai, H.L, Chen, C.C, Ma, Y, Huang, C.H, Zheng, Y, Liu, J.R, Guo, R.T. | | Deposit date: | 2011-04-04 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Rational design to improve thermostability and specific activity of the truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase
Appl.Microbiol.Biotechnol., 94, 2012
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1QH1
 | | NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, PHENOSAFRANIN OXIDIZED STATE | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | Authors: | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | Deposit date: | 1999-05-10 | | Release date: | 1999-11-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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3ZK4
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3U2C
 | | Aldose reductase in complex with NSAID-type inhibitor at 1.0 A resolution | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Aldose reductase, CITRIC ACID, ... | | Authors: | Steuber, H. | | Deposit date: | 2011-10-03 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | An old NSAID revisited: crystal structure of aldose reductase in complex with sulindac at 1.0 A supports a novel mechanism for its anticancer and antiproliferative effects.
Chemmedchem, 6, 2011
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4IJV
 | | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine | | Descriptor: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2012-12-23 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014
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1QGU
 | | NITROGENASE MO-FE PROTEIN FROM KLEBSIELLA PNEUMONIAE, DITHIONITE-REDUCED STATE | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CHLORIDE ION, ... | | Authors: | Mayer, S.M, Lawson, D.M, Gormal, C.A, Roe, S.M, Smith, B.E. | | Deposit date: | 1999-05-06 | | Release date: | 1999-11-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New insights into structure-function relationships in nitrogenase: A 1.6 A resolution X-ray crystallographic study of Klebsiella pneumoniae MoFe-protein.
J.Mol.Biol., 292, 1999
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