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4I93
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BU of 4i93 by Molmil
Structure of the BSK8 kinase domain (SeMet labeled)
Descriptor: Probable serine/threonine-protein kinase At5g41260
Authors:Gruetter, C, Rauh, D.
Deposit date:2012-12-04
Release date:2013-08-14
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture
J.Mol.Biol., 425, 2013
4MU6
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BU of 4mu6 by Molmil
Crystal Structure of the N-terminal domain of Effector Protein LegC3 from Legionella pneumophila
Descriptor: Kinectin 1 (Kinesin receptor)
Authors:Yao, D, Cherney, M, Cygler, M.
Deposit date:2013-09-20
Release date:2013-12-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Structure of the N-terminal domain of the effector protein LegC3 from Legionella pneumophila.
Acta Crystallogr.,Sect.D, 70, 2014
3NRR
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BU of 3nrr by Molmil
Co-crystal structure of dihydrofolate reductase-thymidylate synthase from Babesia bovis with dUMP, Raltitrexed and NADP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibitor-bound complexes of dihydrofolate reductase-thymidylate synthase from Babesia bovis.
Acta Crystallogr.,Sect.F, 67, 2011
4IAA
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BU of 4iaa by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N.
Deposit date:2012-12-06
Release date:2013-12-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine
To be Published
4KY1
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BU of 4ky1 by Molmil
humanized HP1/2 Fab
Descriptor: IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN
Authors:Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A.
Deposit date:2013-05-28
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework.
METHODS (SAN DIEGO), 65, 2014
3EUJ
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BU of 3euj by Molmil
Crystal structure of MukE-MukF(residues 292-443)-MukB(head domain)-ATPgammaS complex, symmetric dimer
Descriptor: Chromosome partition protein mukB, Linker, Chromosome partition protein mukF, ...
Authors:Woo, J.S, Lim, J.H, Shin, H.C, Oh, B.H.
Deposit date:2008-10-10
Release date:2009-01-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural studies of a bacterial condensin complex reveal ATP-dependent disruption of intersubunit interactions.
Cell(Cambridge,Mass.), 136, 2009
4IAN
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BU of 4ian by Molmil
Crystal Structure of apo Human PRPF4B kinase domain
Descriptor: SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
Authors:Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
Deposit date:2012-12-06
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
3NTS
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BU of 3nts by Molmil
Catalytic domain of VsdC from Aeromonas hydrophila
Descriptor: SULFATE ION, VsdC
Authors:Pfoh, R, Shniffer, A, Merrill, A.R, Pai, E.F.
Deposit date:2010-07-05
Release date:2011-06-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Biochemical characterization of an actin-targeting ADP ribosyltransferase from aeromonas hydrophila and the identification of a novel inhibitor for this toxin family
To be Published
4LHF
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BU of 4lhf by Molmil
Crystal structure of a DNA binding protein from phage P2
Descriptor: Regulatory protein cox
Authors:Berntsson, R.P.-A, Odegrip, R, Sehlen, W, Skaar, K, Svensson, L.M, Massad, T, Haggard-Ljungquist, E, Stenmark, P.
Deposit date:2013-07-01
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural insight into DNA binding and oligomerization of the multifunctional Cox protein of bacteriophage P2.
Nucleic Acids Res., 42, 2014
3E8E
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BU of 3e8e by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, PKI inhibitor peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
4I26
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BU of 4i26 by Molmil
2.20 Angstroms X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens
Descriptor: 1,2-ETHANEDIOL, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION
Authors:Davis, I, Huo, L, Chen, L, Liu, A.
Deposit date:2012-11-21
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
Nat Commun, 6, 2015
4L43
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BU of 4l43 by Molmil
Crystal structures of human p70S6K1-T389A (form I)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4KXY
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BU of 4kxy by Molmil
Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP
Descriptor: 1,2-ETHANEDIOL, 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate, CALCIUM ION, ...
Authors:Neumann, P, Luedtke, S, Erixon, K.M, Leeper, F, Kluger, R, Ficner, R, Tittmann, K.
Deposit date:2013-05-28
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
Nat Chem, 5, 2013
4KZ3
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BU of 4kz3 by Molmil
Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid)
Descriptor: 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Barelier, S, Fish, I, Shoichet, B.K.
Deposit date:2013-05-29
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
4KZI
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BU of 4kzi by Molmil
Crystal Structure of TR3 LBD in complex with DPDO
Descriptor: 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-05-30
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
3O2N
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BU of 3o2n by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 5,8-dimethoxy-4-methylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-07-22
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
4HZA
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BU of 4hza by Molmil
Crystal Structure of the Immunoglobulin variable domain of Nectin-2 in monoclinic form
Descriptor: Poliovirus receptor-related protein 2
Authors:Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2012-11-14
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Immunoglobulin variable domain of Nectin-2 in monoclinic form
To be published
3ED9
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BU of 3ed9 by Molmil
Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [30 min]
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S.
Deposit date:2008-09-02
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3EEL
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BU of 3eel by Molmil
Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP11153TM) and NADPH
Descriptor: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liu, J, Anderson, A.
Deposit date:2008-09-04
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors
Chem.Biol.Drug Des., 73, 2009
3O5V
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BU of 3o5v by Molmil
The Crystal Structure of the Creatinase/Prolidase N-terminal domain of an X-PRO dipeptidase from Streptococcus pyogenes to 1.85A
Descriptor: CHLORIDE ION, GLYCEROL, X-PRO dipeptidase
Authors:Stein, A.J, Wu, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-07-28
Release date:2010-08-11
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of the Creatinase/Prolidase N-terminal domain of an X-PRO dipeptidase from Streptococcus pyogenes to 1.85A
To be Published
3EDM
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BU of 3edm by Molmil
Crystal structure of a short chain dehydrogenase from Agrobacterium tumefaciens
Descriptor: Short chain dehydrogenase
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-09-03
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a short chain dehydrogenase from Agrobacterium tumefaciens
To be Published
3EDW
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BU of 3edw by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
Deposit date:2008-09-03
Release date:2010-03-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3O6Z
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BU of 3o6z by Molmil
Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Amzel, L.M, Gabelli, S.B, Boto, A.N.
Deposit date:2010-07-29
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
3EGO
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BU of 3ego by Molmil
Crystal structure of Probable 2-dehydropantoate 2-reductase panE from Bacillus Subtilis
Descriptor: Probable 2-dehydropantoate 2-reductase
Authors:Ramagopal, U.A, Toro, R, Gilmore, M, Hu, S, Maletic, M, Gheyi, T, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-09-11
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Probable 2-dehydropantoate 2-reductase panE from Bacillus Subtilis
To be published
4LAN
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BU of 4lan by Molmil
Crystal structure of Cordyceps militaris IDCase H195A mutant
Descriptor: Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013

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PDB entries from 2024-07-17

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