2O2O
 
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6GSP
 | | RIBONUCLEASE T1/3'-GMP, 15 WEEKS | | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, RIBONUCLEASE T1 | | Authors: | Zegers, I, Wyns, L. | | Deposit date: | 1997-12-09 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hydrolysis of a slow cyclic thiophosphate substrate of RNase T1 analyzed by time-resolved crystallography.
Nat.Struct.Biol., 5, 1998
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2O3R
 | | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | | Descriptor: | ADP-ribosyl cyclase 1, CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Lee, H.C, Hao, Q. | | Deposit date: | 2006-12-01 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38
J.Biol.Chem., 282, 2007
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4A2C
 | | Crystal structure of galactitol-1-phosphate dehydrogenase from Escherichia coli | | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, NICKEL (II) ION, ZINC ION | | Authors: | Alvarez, Y, Esteban-Torres, M, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2011-09-26 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The Crystal Structure of Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli K12 Provides Insights Into its Anomalous Behavior on Imac Processes
FEBS Lett., 586, 2012
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4QGZ
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1SSF
 | | Solution structure of the mouse 53BP1 fragment (residues 1463-1617) | | Descriptor: | Transformation related protein 53 binding protein 1 | | Authors: | Charier, G, Couprie, J, Alpha-Bazin, B, Meyer, V, Quemeneur, E, Guerois, R, Callebaut, I, Gilquin, B, Zinn-Justin, S. | | Deposit date: | 2004-03-24 | | Release date: | 2004-09-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The Tudor Tandem of 53BP1; A New Structural Motif Involved in DNA and RG-Rich Peptide Binding
Structure, 12, 2004
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2WXM
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with DL06. | | Descriptor: | 1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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2O8P
 | | Crystal structure of a putative 14-3-3 protein from Cryptosporidium parvum, cgd7_2470 | | Descriptor: | 14-3-3 domain containing protein | | Authors: | Dong, A, Lew, J, Wasney, G, Lin, L, Hassanali, A, Zhao, Y, Vedadi, M, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Walker, J.R, Bochkarev, A, Hui, R, Brokx, S.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-12-12 | | Release date: | 2007-01-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Characterization of 14-3-3 proteins from Cryptosporidium parvum.
Plos One, 6, 2011
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6H5Z
 | | Ferric murine neuroglobin F106A mutant | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. | | Deposit date: | 2018-07-25 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
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1SWS
 | | CORE-STREPTAVIDIN MUTANT D128A AT PH 4.5 | | Descriptor: | PROTEIN (STREPTAVIDIN) | | Authors: | Freitag, S, Chu, V, Le Trong, I, Klumb, L.A, To, R, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-10-22 | | Release date: | 1999-07-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A structural snapshot of an intermediate on the streptavidin-biotin dissociation pathway.
Proc.Natl.Acad.Sci.USA, 96, 1999
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4A8W
 | | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | | Descriptor: | 5'-D(*TP*TP*CP*GP*CP*GP*TP*AP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-07-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation.
J.Virol., 86, 2012
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3T6Y
 | | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | | Descriptor: | 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | | Deposit date: | 2011-07-29 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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6CI2
 | | Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, formyltransferase PseJ | | Authors: | Reimer, J.M, Jiang, J, Harb, I, Schmeing, T.M. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
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2WXL
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with ZSTK474. | | Descriptor: | 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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6GL8
 | | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | | Descriptor: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | | Deposit date: | 2018-05-23 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
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4AKP
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498T mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | | Authors: | Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | | Deposit date: | 2012-02-28 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis.
Dalton Trans, 39, 2010
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2WXJ
 | | The crystal structure of the murine class IA PI 3-kinase p110delta in complex with INK654. | | Descriptor: | N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | | Authors: | Berndt, A, Miller, S, Williams, O, Lee, D.D, Houseman, B.T, Pacold, J.I, Gorrec, F, Hon, W.-C, Liu, Y, Rommel, C, Gaillard, P, Ruckle, T, Schwarz, M.K, Shokat, K.M, Shaw, J.P, Williams, R.L. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The P110D Structure: Mechanisms for Selectivity and Potency of New Pi(3)K Inhibitors
Nat.Chem.Biol., 6, 2010
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1UO9
 | | Deacetoxycephalosporin C synthase complexed with succinate | | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, SUCCINIC ACID | | Authors: | Valegard, K, Terwisscha Van scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | | Deposit date: | 2003-09-16 | | Release date: | 2004-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
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6CT1
 | | TFE-induced NMR structure of a novel bioactive peptide (PaDBS1R7) derived from a Pyrobaculum aerophilum ribosomal protein (L39e) | | Descriptor: | PaDBS1R7 | | Authors: | Cardoso, M.H, Chan, L.Y, Candido, E.S, Torres, M.T, Oshiro, K.G.N, Silva, I.C, Goncalves, S, Buccini, D.F, Lu, T, Santos, N.C, de la Fuente-Nunez, C, Craik, D.J, Franco, O.L. | | Deposit date: | 2018-03-21 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | An N-capping asparagine-lysine-proline (NKP) motif contributes to a hybrid flexible/stable multifunctional peptide scaffold
Chem Sci, 13, 2022
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3ZDV
 | | Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside | | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trimethylbenzenesulfonamide, CALCIUM ION, ... | | Authors: | Hauck, D, Joachim, I, Frommeyer, B, Varrot, A, Philipp, B, MOller, H.M, Imberty, A, Exner, T.E, Titz, A. | | Deposit date: | 2012-11-30 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes.
Acs Chem.Biol., 8, 2013
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6CR2
 | | Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | | Descriptor: | 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2018-03-16 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
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5HL8
 | | 1.93 Angstrom resolution crystal structure of a pullulanase-specific type II secretion system integral cytoplasmic membrane protein GspL (C-terminal fragment; residues 309-397) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044 | | Descriptor: | Type II secretion system protein L | | Authors: | Halavaty, A.S, Minasov, G, Kiryukhina, O, Grimshaw, S, Light, S, Dubrovska, I, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | 1.93 Angstrom resolution crystal structure of a pullulanase-specific type II secretion system integral cytoplasmic membrane protein GspL (C-terminal fragment; residues 309-397) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044
To Be Published
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1UOB
 | | Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and penicillin G | | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, FE (II) ION, ... | | Authors: | Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | | Deposit date: | 2003-09-16 | | Release date: | 2004-01-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
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6H5S
 | | Cryo-EM map of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to viral genomic 5-prime RNA hexamers. | | Descriptor: | Nucleocapsid, RNA (5'-R(*AP*CP*CP*AP*GP*A)-3') | | Authors: | Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J.P, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M. | | Deposit date: | 2018-07-25 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1UNB
 | | Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and ampicillin | | Descriptor: | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHETASE, ... | | Authors: | Valegard, K, Terwisscha van Scheltinga, A.C, Dubus, A, Oster, L.M, Rhangino, G, Hajdu, J, Andersson, I. | | Deposit date: | 2003-09-09 | | Release date: | 2004-01-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme
Nat.Struct.Mol.Biol., 11, 2004
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