4A6S
| Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside | Descriptor: | CALCIUM ION, PA-I GALACTOPHILIC LECTIN, naphthalen-2-yl 1-thio-beta-D-galactopyranoside | Authors: | Rodrigue, J, Ganne, G, Blanchard, B, Saucier, C, Giguere, D, Chiao, T.S, Varrot, A, Imberty, A, Roy, R. | Deposit date: | 2011-11-08 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Aromatic Thioglycoside Inhibitors Against the Virulence Factor Leca from Pseudomonas Aeruginosa. Org.Biomol.Chem., 11, 2013
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3JYA
| Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors | Descriptor: | 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Stoll, V.S. | Deposit date: | 2009-09-21 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors TO BE PUBLISHED
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1CF3
| GLUCOSE OXIDASE FROM APERGILLUS NIGER | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PROTEIN (GLUCOSE OXIDASE), ... | Authors: | Hecht, H.J, Kalisz, H. | Deposit date: | 1999-03-23 | Release date: | 1999-03-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.8 and 1.9 A resolution structures of the Penicillium amagasakiense and Aspergillus niger glucose oxidases as a basis for modelling substrate complexes. Acta Crystallogr.,Sect.D, 55, 1999
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3JXW
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1K55
| OXA 10 class D beta-lactamase at pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, Beta lactamase OXA-10, SULFATE ION | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | Deposit date: | 2001-10-10 | Release date: | 2001-11-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases. Proc.Natl.Acad.Sci.USA, 98, 2001
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3U7B
| A new crystal structure of a Fusarium oxysporum GH10 xylanase reveals the presence of an extended loop on top of the catalytic cleft | Descriptor: | 1,2-ETHANEDIOL, ENDO-1,4-BETA-XYLANASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dimarogona, M, Topakas, E, Christakopoulos, P, Chrysina, E.D. | Deposit date: | 2011-10-13 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The structure of a GH10 xylanase from Fusarium oxysporum reveals the presence of an extended loop on top of the catalytic cleft. Acta Crystallogr.,Sect.D, 68, 2012
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4H0I
| Crystal Structure of Scfv-2D10 in Complex with Methyl Alpha-D-Mannopyranoside | Descriptor: | 2D10 scFv, MAGNESIUM ION, methyl alpha-D-mannopyranoside | Authors: | Tapryal, S, Gaur, V, Kaur, K.J, Salunke, D.M. | Deposit date: | 2012-09-08 | Release date: | 2013-06-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural evaluation of a mimicry-recognizing paratope: plasticity in antigen-antibody interactions manifests in molecular mimicry. J.Immunol., 191, 2013
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4K90
| Extracellular metalloproteinase from Aspergillus | Descriptor: | BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ... | Authors: | Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I. | Deposit date: | 2013-04-19 | Release date: | 2013-10-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus. Acta Crystallogr.,Sect.D, 69, 2013
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1RIN
| X-RAY CRYSTAL STRUCTURE OF A PEA LECTIN-TRIMANNOSIDE COMPLEX AT 2.6 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PEA LECTIN, ... | Authors: | Rini, J.M, Hardman, K.D, Einspahr, H, Suddath, F.L, Carver, J.P. | Deposit date: | 1993-01-27 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystal structure of a pea lectin-trimannoside complex at 2.6 A resolution. J.Biol.Chem., 268, 1993
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3N4N
| Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3' | Authors: | Takenaka, A, Juan, E.C.M, Shimizu, S. | Deposit date: | 2010-05-22 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one. Nucleic Acids Res., 2010
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6KNC
| PolD-PCNA-DNA (form B) | Descriptor: | DNA polymerase D DP2 (DNA polymerase II large) subunit, DNA polymerase II small subunit, DNA polymerase sliding clamp 1, ... | Authors: | Mayanagi, K, Oki, K, Miyazaki, N, Ishino, S, Yamagami, T, Iwasaki, K, Kohda, D, Morikawa, K, Shirai, T, Ishino, Y. | Deposit date: | 2019-08-05 | Release date: | 2020-08-05 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Two conformations of DNA polymerase D-PCNA-DNA, an archaeal replisome complex, revealed by cryo-electron microscopy. Bmc Biol., 18, 2020
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6KNB
| PolD-PCNA-DNA (form A) | Descriptor: | DNA polymerase D DP2 (DNA polymerase II large) subunit, DNA polymerase II small subunit, DNA polymerase sliding clamp 1, ... | Authors: | Mayanagi, K, Oki, K, Miyazaki, N, Ishino, S, Yamagami, T, Iwasaki, K, Kohda, D, Morikawa, K, Shirai, T, Ishino, Y. | Deposit date: | 2019-08-05 | Release date: | 2020-08-05 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Two conformations of DNA polymerase D-PCNA-DNA, an archaeal replisome complex, revealed by cryo-electron microscopy. Bmc Biol., 18, 2020
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1HTD
| STRUCTURAL INTERACTION OF NATURAL AND SYNTHETIC INHIBITORS WITH THE VENOM METALLOPROTEINASE, ATROLYSIN C (HT-D) | Descriptor: | ATROLYSIN C, CALCIUM ION, ZINC ION | Authors: | Zhang, D, Botos, I, Gomis-Rueth, F.-X, Doll, R, Blood, C, Njoroge, F.G, Fox, J.W, Bode, W, Meyer, E.F. | Deposit date: | 1994-01-20 | Release date: | 1995-09-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural interaction of natural and synthetic inhibitors with the venom metalloproteinase, atrolysin C (form d). Proc.Natl.Acad.Sci.USA, 91, 1994
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1RLC
| CRYSTAL STRUCTURE OF THE UNACTIVATED RIBULOSE 1, 5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE COMPLEXED WITH A TRANSITION STATE ANALOG, 2-CARBOXY-D-ARABINITOL 1,5-BISPHOSPHATE | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN) | Authors: | Zhang, K.Y.J, Cascio, D, Eisenberg, D. | Deposit date: | 1993-08-04 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the unactivated ribulose 1,5-bisphosphate carboxylase/oxygenase complexed with a transition state analog, 2-carboxy-D-arabinitol 1,5-bisphosphate. Protein Sci., 3, 1994
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1PPC
| GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN | Descriptor: | 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN | Authors: | Bode, W, Turk, D. | Deposit date: | 1991-10-24 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin. Eur.J.Biochem., 193, 1990
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4MLL
| The 1.4 A structure of the class D beta-lactamase OXA-1 K70D complexed with oxacillin | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1, ... | Authors: | June, C.M, Vallier, B.C, Bonomo, R.A, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-09-06 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural Origins of Oxacillinase Specificity in Class D beta-Lactamases. Antimicrob.Agents Chemother., 58, 2014
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3A8E
| The structure of AxCesD octamer complexed with cellopentaose | Descriptor: | Cellulose synthase operon protein D, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Hu, S.Q, Tajima, K, Zhou, Y, Yao, M, Tanaka, I. | Deposit date: | 2009-10-05 | Release date: | 2010-09-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of bacterial cellulose synthase subunit D octamer with four inner passageways Proc.Natl.Acad.Sci.USA, 107, 2010
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4OS0
| Three-dimensional structure of the C65A-W54F double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | Descriptor: | Prostaglandin-H2 D-isomerase | Authors: | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | Deposit date: | 2014-02-12 | Release date: | 2014-08-06 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
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1J1A
| PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY | Descriptor: | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, Phospholipase A2 | Authors: | Hansford, K.A, Reid, R.C, Clark, C.I, Tyndall, J.D.A, Whitehouse, M.W, Guthrie, T, McGeary, R.P, Schafer, K, Martin, J.L, Fairlie, D.P. | Deposit date: | 2002-12-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | D-Tyrosine as a Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (IIa) with Antiinflammatory Activity Chembiochem, 4, 2003
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1OJ8
| Novel and retro Binding Modes in Cytotoxic Ribonucleases from Rana catesbeiana of Two Crystal Structures Complexed with d(ApCpGpA) and (2',5'CpG) | Descriptor: | 5'-D(*AP*CP*GP*AP)-3', RC-RNASE6 RIBONUCLEASE, SULFATE ION | Authors: | Tsai, C.-J, Liu, J.-H, Liao, Y.-D, Chen, L.-Y, Cheng, P.-T, Sun, Y.-J. | Deposit date: | 2003-07-07 | Release date: | 2004-07-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Retro and Novel Binding Modes in Cytotoxic Ribonucleases from Rana Catesbeiana of Two Crystal Structures Complexed with (2',5'Cpg) and D(Apcpgpa) To be Published
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1EEH
| UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | Descriptor: | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE | Authors: | Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O. | Deposit date: | 2000-01-31 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | "Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase. J.Mol.Biol., 301, 2000
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3EE2
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1JUJ
| Human Thymidylate Synthase Bound to dUMP and LY231514, a Pyrrolo(2,3-d)pyrimidine-based Antifolate | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | Deposit date: | 2001-08-24 | Release date: | 2001-09-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases. J.Mol.Biol., 313, 2001
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1K54
| OXA-10 class D beta-lactamase partially acylated with reacted 6beta-(1-hydroxy-1-methylethyl) penicillanic acid | Descriptor: | (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Beta lactamase OXA-10, ... | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | Deposit date: | 2001-10-10 | Release date: | 2001-11-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases. Proc.Natl.Acad.Sci.USA, 98, 2001
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1UB8
| Crystal structure of d(GCGAAGC), bending duplex with a bulge-in residue | Descriptor: | 5'-D(*GP*CP*GP*AP*AP*GP*C)-3', COBALT HEXAMMINE(III) | Authors: | Sunami, T, Kondo, J, Hirao, I, Watanabe, K, Miura, K, Takenaka, A. | Deposit date: | 2003-03-31 | Release date: | 2004-03-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of d(GCGAAGC) and d(GCGAAAGC) (tetragonal form): a switching of partners of the sheared G.A pairs to form a functional G.AxA.G crossing. Acta Crystallogr.,Sect.D, 60, 2004
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