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4BZO
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BU of 4bzo by Molmil
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor
Descriptor: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE PIM-1
Authors:Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R.
Deposit date:2013-07-29
Release date:2013-10-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21, 2013
4BME
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BU of 4bme by Molmil
Crystal structure of the N terminal domain of human Galectin 8, F19Y mutant
Descriptor: GALECTIN-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Buzamet, E, Ruiz, F.M, Menendez, M, Romero, A, Gabius, H.J, Solis, D.
Deposit date:2013-05-07
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural Single Amino Acid Polymorphism (F19Y) in Human Galectin-8: Detection of Structural Alterations and Increased Growth-Regulatory Activity on Tumor Cells.
FEBS J., 281, 2014
4CD2
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BU of 4cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID
Authors:Cody, V, Galitsky, N, Rak, D, Luft, J.R, Pangborn, W, Queener, S.F.
Deposit date:1999-03-18
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
4C9P
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BU of 4c9p by Molmil
Structure of camphor bound T260A mutant of CYP101D1
Descriptor: CAMPHOR, CYTOCHROME P450, GLYCEROL, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
1BCY
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BU of 1bcy by Molmil
RECOMBINANT RAT ANNEXIN V, T72K MUTANT
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A.
Deposit date:1998-05-04
Release date:1998-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
3TJV
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BU of 3tjv by Molmil
Crystal structure of human granzyme H with a peptidyl substrate
Descriptor: Granzyme H, PTSYAGDDSG, SULFATE ION
Authors:Wang, L, Zhang, K, Wu, L, Tong, L, Sun, F, Fan, Z.
Deposit date:2011-08-25
Release date:2011-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the substrate specificity of human granzyme H: the functional roles of a novel RKR motif
J.Immunol., 188, 2012
3U6K
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BU of 3u6k by Molmil
Ef-tu (escherichia coli) in complex with nvp-ldk733
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Palestrant, D.J.
Deposit date:2011-10-12
Release date:2012-02-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids.
J.Med.Chem., 54, 2011
4C4S
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BU of 4c4s by Molmil
Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Descriptor: (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
2PN5
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BU of 2pn5 by Molmil
Crystal Structure of TEP1r
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:Baxter, R.H.G.
Deposit date:2007-04-23
Release date:2007-07-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural basis for conserved complement factor-like function in the antimalarial protein TEP1
Proc.Natl.Acad.Sci.Usa, 104, 2007
3U86
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BU of 3u86 by Molmil
Crystal structure of human menin in complex with JunD
Descriptor: Menin, Transcription factor jun-D
Authors:Huang, J, Wan, B, Lei, M.
Deposit date:2011-10-15
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.843 Å)
Cite:The same pocket in menin binds both MLL and JUND but has opposite effects on transcription.
Nature, 482, 2012
4ARI
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BU of 4ari by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation
Descriptor: GLYCEROL, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ...
Authors:Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012
1AZP
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BU of 1azp by Molmil
HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SAC7D BOUND WITH KINKED DNA DUPLEX
Descriptor: DNA (5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3'), PROTEIN (HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SAC7D)
Authors:Robinson, H, Gao, Y.-G, Mccrary, B.S, Edmondson, S.P, Shriver, J.W, Wang, A.H.-J.
Deposit date:1997-11-19
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The hyperthermophile chromosomal protein Sac7d sharply kinks DNA.
Nature, 392, 1998
1S56
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BU of 1s56 by Molmil
Crystal Structure of "Truncated" Hemoglobin N (HbN) from Mycobacterium tuberculosis, Soaked with Xe Atoms
Descriptor: CYANIDE ION, HEME C, Hemoglobin-like protein HbN, ...
Authors:Milani, M, Pesce, A, Ouellet, Y, Dewilde, S, Friedman, J, Ascenzi, P, Guertin, M, Bolognesi, M.
Deposit date:2004-01-20
Release date:2004-06-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Heme-ligand tunneling in group I truncated hemoglobins
J.Biol.Chem., 279, 2004
4AMP
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BU of 4amp by Molmil
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
Descriptor: CHLORIDE ION, DYNE8, GLYCEROL, ...
Authors:Liew, C.W, Lescar, J.
Deposit date:2012-03-13
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
2PRB
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BU of 2prb by Molmil
crystal structure of aminoglycoside acetyltransferase AAC(6')-Ib in complex whith coenzyme A
Descriptor: Aminoglycoside 6-N-acetyltransferase type Ib11, COENZYME A
Authors:Maurice, F, Broutin, I, Podglajen, I, Benas, P, Collatz, E, Dardel, F.
Deposit date:2007-05-04
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzyme structural plasticity and the emergence of broad-spectrum antibiotic resistance.
Embo Rep., 9, 2008
4AP1
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BU of 4ap1 by Molmil
Oxidized steroid monooxygenase bound to NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, STEROID MONOOXYGENASE, ...
Authors:Franceschini, S, van Beek, H.L, Martinoli, C, Pennetta, A, Fraaije, M.W, Mattevi, A.
Deposit date:2012-03-30
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Exploring the Structural Basis of Substrate Preferences in Baeyer-Villiger Monooxygenases: Insight from Steroid Monooxygenase.
J.Biol.Chem., 287, 2012
4ALO
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BU of 4alo by Molmil
STRUCTURE AND PROPERTIES OF H1 CRUSTACYANIN FROM LOBSTER HOMARUS AMERICANUS
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, H1 APOCRUSTACYANIN, SODIUM ION, ...
Authors:Ferrari, M, Folli, C, Pincolini, E, Mcclintock, T.S, Roessle, M, Berni, R, Cianci, M.
Deposit date:2012-03-05
Release date:2012-08-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Characterization of Recombinant Crustacyanin Subunits from the Lobster Homarus Americanus.
Acta Crystallogr.,Sect.F, 68, 2012
4AMN
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BU of 4amn by Molmil
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
Descriptor: CHLORIDE ION, DYNE8, GLYCEROL
Authors:Liew, C.W, Lescar, J.
Deposit date:2012-03-13
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis.
J.Biol.Chem., 287, 2012
4AE6
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BU of 4ae6 by Molmil
Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit Calpha 2
Descriptor: ACETATE ION, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA 2
Authors:Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R.
Deposit date:2012-01-09
Release date:2012-04-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2
J.Struct.Biol., 178, 2012
4AGJ
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BU of 4agj by Molmil
Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane
Descriptor: 1,4-DIETHYLENE DIOXIDE, CAPSID PROTEIN
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2012-01-30
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts.
Plos One, 7, 2012
3VK1
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BU of 3vk1 by Molmil
Green-fluorescent variant of the non-fluorescent chromoprotein Rtms5
Descriptor: CHLORIDE ION, GFP-like non-fluorescent chromoprotein, IODIDE ION
Authors:Battad, J.M, Traore, D.A.K, Wilce, M, Byres, M, Rossjohn, J, Devenish, R.J, Prescott, M.
Deposit date:2011-11-07
Release date:2012-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Green Fluorescent Protein Containing a QFG Tri-Peptide Chromophore: Optical Properties and X-Ray Crystal Structure.
Plos One, 7, 2012
2PKX
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BU of 2pkx by Molmil
E.coli response regulator PhoP receiver domain
Descriptor: Transcriptional regulatory protein phoP
Authors:Bachhawat, P.
Deposit date:2007-04-18
Release date:2007-05-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal Structures of the Receiver Domain of the Response Regulator PhoP from Escherichia coli in the Absence and Presence of the Phosphoryl Analog Beryllofluoride.
J.Bacteriol., 189, 2007
1BC0
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BU of 1bc0 by Molmil
RECOMBINANT RAT ANNEXIN V, W185A MUTANT
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Mo, Y.D, Swairjo, M.A, Li, C.W, Head, J.F, Seaton, B.A.
Deposit date:1998-05-04
Release date:1998-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutational and crystallographic analyses of interfacial residues in annexin V suggest direct interactions with phospholipid membrane components.
Biochemistry, 37, 1998
4AHE
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BU of 4ahe by Molmil
K17I - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
Descriptor: ANGIOGENIN, L(+)-TARTARIC ACID
Authors:Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
Deposit date:2012-02-06
Release date:2012-10-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
1OMD
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BU of 1omd by Molmil
STRUCTURE OF ONCOMODULIN REFINED AT 1.85 ANGSTROMS RESOLUTION. AN EXAMPLE OF EXTENSIVE MOLECULAR AGGREGATION VIA CA2+
Descriptor: CALCIUM ION, ONCOMODULIN
Authors:Ahmed, F.R, Przybylska, M, Rose, D.R, Birnbaum, G.I, Pippy, M.E, Macmanus, J.P.
Deposit date:1990-04-19
Release date:1991-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of oncomodulin refined at 1.85 A resolution. An example of extensive molecular aggregation via Ca2+.
J.Mol.Biol., 216, 1990

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