2ATC
 
 | | CRYSTAL AND MOLECULAR STRUCTURES OF NATIVE AND CTP-LIGANDED ASPARTATE CARBAMOYLTRANSFERASE FROM ESCHERICHIA COLI | | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE, CATALYTIC CHAIN, REGULATORY CHAIN, ... | | Authors: | Honzatko, R.B, Crawford, J.L, Monaco, H.L, Ladner, J.E, Edwards, B.F.P, Evans, D.R, Warren, S.G, Wiley, D.C, Ladner, R.C, Lipscomb, W.N. | | Deposit date: | 1982-03-24 | | Release date: | 1982-12-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal and molecular structures of native and CTP-liganded aspartate carbamoyltransferase from Escherichia coli.
J.Mol.Biol., 160, 1982
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2BCY
 | | Crystal Structure of a minimal, mutant all-RNA hairpin ribozyme (U39C, G8MTU) | | Descriptor: | 5'-R(*CP*GP*GP*UP*GP*AP*(MTU)P*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ... | | Authors: | Salter, J.D, Wedekind, J.E. | | Deposit date: | 2005-10-19 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
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2BCZ
 | | Crystal Structure of a minimal, mutant all-RNA hairpin ribozyme (U39C, G8I, 2'deoxy A-1) | | Descriptor: | 5'-R(*CP*GP*GP*UP*GP*AP*IP*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*(DA)P*GP*UP*CP*CP*AP*CP*CP*G)-3'), ... | | Authors: | Salter, J.D, Wedekind, J.E. | | Deposit date: | 2005-10-19 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
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1XY1
 | | CRYSTAL STRUCTURE ANALYSIS OF DEAMINO-OXYTOCIN. CONFORMATIONAL FLEXIBILITY AND RECEPTOR BINDING | | Descriptor: | BETA-MERCAPTOPROPIONATE-OXYTOCIN | | Authors: | Husain, J, Blundell, T.L, Wood, S.P, Tickle, I.J, Cooper, S, Pitts, J.E. | | Deposit date: | 1987-06-05 | | Release date: | 1988-04-16 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystal structure analysis of deamino-oxytocin: conformational flexibility and receptor binding.
Science, 232, 1986
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3Q50
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2VBP
 | | Isopenicillin N synthase with substrate analogue L,L,L-ACAB (unexposed) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine, ... | | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2007-09-14 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase.
Biochem.Biophys.Res.Commun., 398, 2010
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2CLY
 | | Subcomplex of the stator of bovine mitochondrial ATP synthase | | Descriptor: | ATP SYNTHASE B CHAIN, MITOCHONDRIAL, ATP SYNTHASE COUPLING FACTOR 6, ... | | Authors: | Kane Dickson, V, Silvester, J.A, Fearnley, I.M, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2006-05-03 | | Release date: | 2006-06-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | On the Structure of the Stator of the Mitochondrial ATP Synthase.
Embo J., 25, 2006
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5A1Z
 | | Cryo-EM structure of Dengue virus serotype 2 strain PVP94-07 complexed with human antibody 2D22 Fab at 37 degrees C | | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, ENVELOPE PROTEIN, ... | | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Jr, J.E, Lok, S.M. | | Deposit date: | 2015-05-06 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
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2ANH
 | | ALKALINE PHOSPHATASE (D153H) | | Descriptor: | ALKALINE PHOSPHATASE, PHOSPHATE ION, ZINC ION | | Authors: | Murphy, J.E, Tibbitts, T.T, Kantrowitz, E.R. | | Deposit date: | 1995-09-06 | | Release date: | 1996-01-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mutations at positions 153 and 328 in Escherichia coli alkaline phosphatase provide insight towards the structure and function of mammalian and yeast alkaline phosphatases.
J.Mol.Biol., 253, 1995
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7FBP
 | | FXIIa-cMCoFx1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-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, Coagulation factor XIIa light chain, cMCoFx1 | | Authors: | Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K. | | Deposit date: | 2021-07-12 | | Release date: | 2021-11-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
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7CRB
 | | Cryo-EM structure of plant NLR RPP1 LRR-ID domain in complex with ATR1 | | Descriptor: | Avirulence protein ATR1, NAD+ hydrolase (NADase) | | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | | Deposit date: | 2020-08-13 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
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1VHR
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE VHR, SULFATE ION | | Authors: | Yuvaniyama, J, Denu, J.M, Dixon, J.E, Saper, M.A. | | Deposit date: | 1996-02-20 | | Release date: | 1996-06-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the dual specificity protein phosphatase VHR.
Science, 272, 1996
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1AUI
 | | HUMAN CALCINEURIN HETERODIMER | | Descriptor: | CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ... | | Authors: | Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E. | | Deposit date: | 1997-08-27 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
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2FDA
 | | Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand | | Descriptor: | BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ... | | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2005-12-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
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1HB1
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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1HB3
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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1HB4
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | | Deposit date: | 2001-04-11 | | Release date: | 2001-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction.
Chem.Biol., 8, 2001
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8CW2
 | | Crystal structure of TDP1 complexed with compound XZ760 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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8CVQ
 | | Crystal structure of TDP1 complexed with compound XZ761 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-05-18 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
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3B39
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3B5S
 | | Minimally Hinged Hairpin Ribozyme Incorporates A38DAP Mutation and 2'-O-methyl Modification at the Active Site | | Descriptor: | 29-mer Loop A and Loop B Ribozyme strand, COBALT HEXAMMINE(III), Loop A Substrate strand, ... | | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | | Deposit date: | 2007-10-26 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme.
Rna, 14, 2008
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3B1T
 | | Crystal structure of human peptidylarginine deiminase 4 in complex with o-Cl-amidine | | Descriptor: | 2-{[(2S)-1-amino-5-{[(1Z)-2-chloroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ... | | Authors: | Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R. | | Deposit date: | 2011-07-13 | | Release date: | 2011-10-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors
J.Med.Chem., 54, 2011
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7U6O
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8DHJ
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8DHI
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