3G0C
 
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ... | | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | Deposit date: | 2009-01-27 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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4JUM
 | | Crystal structure of H5N1 influenza virus hemagglutinin, clade 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | | Deposit date: | 2013-03-25 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | To be published
To be Published
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4JGY
 | | Crystal structure of human coxsackievirus A16 uncoating intermediate (space group P4232) | | Descriptor: | Polyprotein, capsid protein VP1, capsid protein VP2, ... | | Authors: | Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, Mcauley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | | Deposit date: | 2013-03-04 | | Release date: | 2013-06-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
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1A74
 | | I-PPOL HOMING ENDONUCLEASE/DNA COMPLEX | | Descriptor: | DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*A P*GP*TP*CP*A)-3'), INTRON-ENCODED ENDONUCLEASE I-PPOI, ZINC ION | | Authors: | Jurica, B.L, Flick, K.E, Monnat Junior, R.J, Stoddard, M.S. | | Deposit date: | 1998-03-19 | | Release date: | 1998-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI.
Nature, 394, 1998
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6COB
 | | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I | | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL | | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | | Deposit date: | 2018-03-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | AtHNL enantioselectivity mutants
To be published
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6COI
 | | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE | | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ... | | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | | Deposit date: | 2018-03-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.024 Å) | | Cite: | AtHNL enantioselectivity mutants
To be published
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3G0D
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | | Descriptor: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | Deposit date: | 2009-01-27 | | Release date: | 2010-02-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3G0B
 | | Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 | | Descriptor: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | Deposit date: | 2009-01-27 | | Release date: | 2010-02-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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4I2X
 | | Crystal structure of Signal Regulatory Protein gamma (SIRP-gamma) in complex with FabOX117 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FabOX117 heavy chain, ... | | Authors: | Nettleship, J.E, Ren, J, Stuart, D.I, Owens, R.J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2012-11-23 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structure of signal regulatory protein gamma (SIRP gamma) in complex with an antibody Fab fragment.
Bmc Struct.Biol., 13, 2013
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6CWH
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1A73
 | | INTRON-ENCODED ENDONUCLEASE I-PPOI COMPLEXED WITH DNA | | Descriptor: | DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*A)-3'), DNA (5'-D(P*GP*AP*GP*AP*GP*TP*CP*A)-3'), INTRON 3 (I-PPO) ENCODED ENDONUCLEASE, ... | | Authors: | Flick, K.E, Monnat Junior, R.J, Stoddard, B.L. | | Deposit date: | 1998-03-19 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI.
Nature, 394, 1998
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4I0N
 | | Pore forming protein | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Necrotic enteritis toxin B | | Authors: | Yan, X, Porter, C.J, Hardy, S.P, Steer, D, Smith, A.I, Quinset, N, Hughes, V, Cheung, J.K, Keyburn, A.L, Kaldhusdal, M, Moore, R.J, Bannam, T.L, Whisstock, J.C, Rood, J.I. | | Deposit date: | 2012-11-16 | | Release date: | 2013-03-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional analysis of the pore-forming toxin NetB from Clostridium perfringens
MBio, 4, 2013
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4J94
 | | Crystal structure of MycP1 from the ESX-1 type VII secretion system | | Descriptor: | Membrane-anchored mycosin mycp1 | | Authors: | Solomonson, M, Wasney, G.A, Watanabe, N, Gruninger, R.J, Prehna, G, Strynadka, N.C.J. | | Deposit date: | 2013-02-15 | | Release date: | 2013-05-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Structure of the Mycosin-1 Protease from the Mycobacterial ESX-1 Protein Type VII Secretion System.
J.Biol.Chem., 288, 2013
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6AQ5
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3DGZ
 | | Crystal Structure of Mouse Mitochondrial Thioredoxin Reductase, C-terminal 3-residue truncation | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 2, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Authors: | Eckenroth, B.E, Hondal, R.J, Everse, S.J. | | Deposit date: | 2008-06-16 | | Release date: | 2009-06-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure of Mouse Mitochondrial Thioredoxin Reductase, C-terminal 3-residue truncation
To be Published
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4JAL
 | | Crystal structure of tRNA (Um34/Cm34) methyltransferase TrmL from Escherichia coli with SAH | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Liu, R.J, Zhou, M, Wang, E.D. | | Deposit date: | 2013-02-18 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The tRNA recognition mechanism of the minimalist SPOUT methyltransferase, TrmL
Nucleic Acids Res., 41, 2013
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1BCP
 | | BINARY COMPLEX OF PERTUSSIS TOXIN AND ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PERTUSSIS TOXIN | | Authors: | Hazes, B, Read, R.J. | | Deposit date: | 1995-11-21 | | Release date: | 1997-06-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the pertussis toxin-ATP complex: a molecular sensor.
J.Mol.Biol., 258, 1996
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3DGH
 | | Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thioredoxin reductase 1, ... | | Authors: | Eckenroth, B.E, Hondal, R.J, Everse, S.J. | | Deposit date: | 2008-06-13 | | Release date: | 2009-06-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.745 Å) | | Cite: | Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation
To be Published
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6CEA
 | | Crystal structure of fragment 3-(quinolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(quinolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6CEE
 | | Crystal structure of fragment 3-(1-Methyl-2-oxo-1,2-dihydroquinoxalin-3-yl)propionic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6COG
 | | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde | | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | | Deposit date: | 2018-03-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | AtHNL enantioselectivity mutants
To be published
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6COH
 | | AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde, MANDELIC ACID NITRILE | | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, Alpha-hydroxynitrile lyase, GLYCEROL, ... | | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | | Deposit date: | 2018-03-12 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.367 Å) | | Cite: | AtHNL enantioselectivity mutants
To be published
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6CWF
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6CWN
 | | Crystal structure of SpaA-SLH/G109A in complex with 4,6-Pyr-beta-D-ManNAcOMe | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Surface (S-) layer glycoprotein, methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside | | Authors: | Blackler, R.J, Evans, S.V. | | Deposit date: | 2018-03-30 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural basis of cell wall anchoring by SLH domains in Paenibacillus alvei.
Nat Commun, 9, 2018
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6CE6
 | | Structure of HDAC6 zinc-finger ubiquitin binding domain soaked with 3,3'-(benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diyl)dipropionic acid | | Descriptor: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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