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2J3F
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BU of 2j3f by Molmil
L-ficolin complexed to N-acetyl-D-galactosamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Garlatti, V, Gaboriaud, C.
Deposit date:2006-08-21
Release date:2007-01-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Embo J., 26, 2007
3FH4
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BU of 3fh4 by Molmil
Crystal Structure of Recombinant Vibrio proteolyticus aminopeptidase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ...
Authors:Yong, W, Kim, J.-J.P, Hartley, M, Bennett, B.
Deposit date:2008-12-08
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Heterologous expression and purification of Vibrio proteolyticus (Aeromonas proteolytica) aminopeptidase: a rapid protocol
Protein Expr.Purif., 66, 2009
306D
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BU of 306d by Molmil
SIDE-BY-SIDE BINDING OF DISTAMYCIN MOLECULES TO D(ICITACIC)
Descriptor: DISTAMYCIN A, DNA (5'-D(*IP*CP*IP*TP*AP*CP*IP*C)-3'), MAGNESIUM ION
Authors:Chen, X, Ramakrishnan, B, Sundaralingam, M.
Deposit date:1997-01-03
Release date:1997-09-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of the side-by-side binding of distamycin to AT-containing DNA octamers d(ICITACIC) and d(ICATATIC).
J.Mol.Biol., 267, 1997
3A1J
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BU of 3a1j by Molmil
Crystal structure of the human Rad9-Hus1-Rad1 complex
Descriptor: Cell cycle checkpoint control protein RAD9A, Cell cycle checkpoint protein RAD1, Checkpoint protein HUS1, ...
Authors:Sohn, S.Y, Cho, Y.
Deposit date:2009-04-08
Release date:2009-06-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Human Rad9-Hus1-Rad1 Clamp
J.Mol.Biol., 390, 2009
3A7V
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BU of 3a7v by Molmil
Crystal Structure of Trypsin complexed with 3-formylbenzimidamide
Descriptor: 3-formylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A87
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BU of 3a87 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 5 minutes)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
2JAM
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BU of 2jam by Molmil
Crystal structure of human calmodulin-dependent protein kinase I G
Descriptor: 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, CALCIUM ION, ...
Authors:Debreczeni, J.E, Bullock, A, Keates, T, Niesen, F.H, Salah, E, Shrestha, L, Smee, C, Sobott, F, Pike, A.C.W, Bunkoczi, G, von Delft, F, Turnbull, A, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S.
Deposit date:2006-11-29
Release date:2007-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Calmodulin-Dependent Protein Kinase I G
To be Published
2V2W
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BU of 2v2w by Molmil
T CELL CROSS-REACTIVITY AND CONFORMATIONAL CHANGES DURING TCR ENGAGEMENT
Descriptor: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Lee, J.K, Stewart-Jones, G, Dong, T, Harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, Van Der Merwe, P.A, Jones, E.Y, Mcmichael, A.J.
Deposit date:2007-06-07
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement.
J.Exp.Med., 200, 2004
3EWJ
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BU of 3ewj by Molmil
Crystal structure of catalytic domain of TACE with carboxylate inhibitor
Descriptor: (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Orth, P.
Deposit date:2008-10-15
Release date:2008-11-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2V2X
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BU of 2v2x by Molmil
T cell cross-reactivity and conformational changes during TCR engagement.
Descriptor: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Lee, J.K, Stewart-Jones, G, Dong, T, harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, van der Merwe, P.A, Jones, E.Y, McMichael, A.J.
Deposit date:2007-06-07
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement.
J.Exp.Med., 200, 2004
2ZZC
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BU of 2zzc by Molmil
Crystal structure of NADP(H):human thioredoxin reductase I
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1, ...
Authors:Lo, Y.C, Ko, T.P, Wang, A.H.J.
Deposit date:2009-02-09
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
J.Inorg.Biochem., 103, 2009
2ZZU
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BU of 2zzu by Molmil
Human Factor VIIA-Tissue Factor Complexed with ethylsulfonamide-D-5-(3-carboxybenzyloxy)-Trp-Gln-p-aminobenzamidine
Descriptor: 3-[[3-[(2R)-3-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1H-indol-5-yl]oxymethyl]benzoic acid, CALCIUM ION, Factor VII heavy chain, ...
Authors:Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T.
Deposit date:2009-02-25
Release date:2009-03-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and synthesis of peptidomimetic factor VIIa inhibitors
Chem.Pharm.Bull., 58, 2010
2JG9
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BU of 2jg9 by Molmil
Crystallographic structure of human C1q globular heads (P1)
Descriptor: CALCIUM ION, Complement C1q subcomponent subunit A, Complement C1q subcomponent subunit B, ...
Authors:Paidassi, H, Tacnet-Delorme, P, Garlatti, V, Darnault, C, Ghebrehiwet, B, Gaboriaud, C, Arlaud, G.J, Frachet, P.
Deposit date:2007-02-09
Release date:2008-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:C1Q Binds Phosphatidylserine and Likely Acts as a Multiligand-Bridging Molecule in Apoptotic Cell Recognition.
J.Immunol., 180, 2008
3A0I
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BU of 3a0i by Molmil
Human glucokinase in complex with a synthetic activator
Descriptor: 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide, Glucokinase, SODIUM ION, ...
Authors:Kamata, K, Mitsuya, M.
Deposit date:2009-03-19
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators
Bioorg.Med.Chem.Lett., 19, 2009
2UZY
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BU of 2uzy by Molmil
Structure of the human receptor tyrosine kinase Met in complex with the Listeria monocytogenes invasion protein inlb: low resolution, Crystal form II
Descriptor: HEPATOCYTE GROWTH FACTOR RECEPTOR, INTERNALIN B
Authors:Niemann, H.H, Jager, V, Butler, P.J.G, van den Heuvel, J, Schmidt, S, Ferraris, D, Gherardi, E, Heinz, D.W.
Deposit date:2007-05-02
Release date:2007-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of the Human Receptor Tyrosine Kinase met in Complex with the Listeria Invasion Protein Inlb
Cell(Cambridge,Mass.), 130, 2007
3A3N
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BU of 3a3n by Molmil
Crystal structure of complex between SA-subtilisin and Tk-propeptide with deletion of the two C-terminal residues
Descriptor: CALCIUM ION, Tk-subtilisin, ZINC ION
Authors:Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
Deposit date:2009-06-15
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of the interactions critical for propeptide-catalyzed folding of Tk-subtilisin
J.Mol.Biol., 394, 2009
3AAU
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BU of 3aau by Molmil
Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate
Descriptor: CALCIUM ION, COPPER (II) ION, Cationic trypsin, ...
Authors:Iyaguchi, D, Kawano, S, Toyota, E.
Deposit date:2009-11-26
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
2WQE
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BU of 2wqe by Molmil
Structure of S155R Aurora-A somatic mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Bibby, R, Bayliss, R.
Deposit date:2009-08-20
Release date:2009-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Cancer Associated Aurora-A Mutant is Mislocalised and Misregulated due to Loss of Interaction with Tpx2.
J.Biol.Chem., 284, 2009
3A7T
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BU of 3a7t by Molmil
Crystal Structure of Trypsin complexed with 4-formylbenzimidamide
Descriptor: 4-formylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A83
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BU of 3a83 by Molmil
Crystal Structure of Trypsin complexed with pre-synthesized (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3FGC
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BU of 3fgc by Molmil
Crystal Structure of the Bacterial Luciferase:Flavin Complex Reveals the Basis of Intersubunit Communication
Descriptor: Alkanal monooxygenase alpha chain, Alkanal monooxygenase beta chain, FLAVIN MONONUCLEOTIDE, ...
Authors:Campbell, Z.T, Weichsel, A, Montfort, W.R, Baldwin, T.O.
Deposit date:2008-12-05
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the bacterial luciferase/flavin complex provides insight into the function of the beta subunit.
Biochemistry, 48, 2009
2ZYB
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BU of 2zyb by Molmil
Crystal structure of phenylimidazo pyrazin 2 bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)
Descriptor: N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Tsuji, E.
Deposit date:2009-01-19
Release date:2009-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
3FGD
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BU of 3fgd by Molmil
Drugscore FP: Thermoylsin in complex with fragment.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2008-12-05
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Drugscore FP: Profiling Protein-Ligand Interactions using Fingerprint Simplicity paired with Knowledge-Based Potential Fields
To be Published
3FJU
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BU of 3fju by Molmil
Ascaris suum carboxypeptidase inhibitor in complex with human carboxypeptidase A1
Descriptor: ACETATE ION, CACODYLATE ION, Carboxypeptidase A inhibitor, ...
Authors:Sanglas, L, Aviles, F.X, Huber, R, Gomis-Ruth, F.X, Arolas, J.L.
Deposit date:2008-12-15
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mammalian metallopeptidase inhibition at the defense barrier of Ascaris parasite
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZZK
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BU of 2zzk by Molmil
Crystal structure of tRNA wybutosine synthesizing enzyme TYW4
Descriptor: CITRIC ACID, Leucine carboxyl methyltransferase 2, TETRAETHYLENE GLYCOL
Authors:Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O.
Deposit date:2009-02-17
Release date:2009-06-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4.
Nucleic Acids Res., 37, 2009

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