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4DJW
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BU of 4djw by Molmil
Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one
Descriptor: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
1QWQ
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BU of 1qwq by Molmil
Solution structure of the monomeric N67D mutant of Bovine Seminal Ribonuclease
Descriptor: Ribonuclease
Authors:Avitabile, F, Alfano, C, Spadaccini, R, Crescenzi, O, D'Ursi, A.M, D'Alessio, G, Tancredi, T, Picone, D.
Deposit date:2003-09-03
Release date:2003-09-16
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:THE SWAPPING OF TERMINAL ARMS IN RIBONUCLEASES: COMPARISON OF THE SOLUTION STRUCTURE OF MONOMERIC BOVINE SEMINAL AND PANCREATIC RIBONUCLEASES
Biochemistry, 42, 2003
4DGM
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BU of 4dgm by Molmil
Crystal Structure of maize CK2 in complex with the inhibitor apigenin
Descriptor: 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha, ...
Authors:Lolli, G, Mazzorana, M, Battistutta, R.
Deposit date:2012-01-26
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
1QLY
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BU of 1qly by Molmil
NMR Study of the SH3 Domain From Bruton's Tyrosine Kinase, 20 Structures
Descriptor: TYROSINE-PROTEIN KINASE BTK
Authors:Tzeng, S.R, Lou, Y.C, Pai, M.T, Chen, C, Chen, S.H, Cheng, J.Y.
Deposit date:1999-09-20
Release date:1999-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the Human Btk SH3 Domain Complexed with a Proline-Rich Peptide from P120Cbl
J.Biomol.NMR, 16, 2000
1QQN
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BU of 1qqn by Molmil
D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN, ...
Authors:Johnson, E.R, McKay, D.B.
Deposit date:1999-06-07
Release date:1999-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein.
Biochemistry, 38, 1999
4DLI
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BU of 4dli by Molmil
Human p38 MAP kinase in complex with RL87
Descriptor: Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Gruetter, C, Getlik, M, Simard, J.R, Rauh, D.
Deposit date:2012-02-06
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase.
Plos One, 7, 2012
4DQ4
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BU of 4dq4 by Molmil
Bovine beta-lactoglobulin complex with linoleic acid
Descriptor: Beta-lactoglobulin, ETHANOL, GLYCEROL, ...
Authors:Loch, J.I, Lewinski, K.
Deposit date:2012-02-15
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
1QSI
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BU of 1qsi by Molmil
MAGNESIUM(II)-AND ZINC(II)-PROTOPORPHYRIN IX'S STABILIZE THE LOWEST OXYGEN AFFINITY STATE OF HUMAN HEMOGLOBIN EVEN MORE STRONGLY THAN DEOXYHEME
Descriptor: CARBON MONOXIDE, PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), ...
Authors:Miyazaki, G, Morimoto, H, Yun, K.-M, Park, S.-Y, Nakagawa, A, Minagawa, H, Shibayama, N.
Deposit date:1999-06-22
Release date:1999-07-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Magnesium(II) and zinc(II)-protoporphyrin IX's stabilize the lowest oxygen affinity state of human hemoglobin even more strongly than deoxyheme.
J.Mol.Biol., 292, 1999
4DLR
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BU of 4dlr by Molmil
H-Ras PEG 400/Ca(OAc)2, ordered off
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.319 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
4DLY
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BU of 4dly by Molmil
Set 1 CaCl2/DTT, ordered off
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
1QMT
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BU of 1qmt by Molmil
Recombinant Human Eosinophil Cationic Protein
Descriptor: EOSINOPHIL CATIONIC PROTEIN
Authors:Boix, E, Leonidas, D.D, Acharya, K.R.
Deposit date:1999-10-06
Release date:2000-02-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Eosinophil Cationic Protein at 2.4 A Resolution
Biochemistry, 38, 1999
1ZZ2
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BU of 1zz2 by Molmil
Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes
Descriptor: Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside
Authors:Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M.
Deposit date:2005-06-13
Release date:2005-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes.
Bioorg.Med.Chem.Lett., 15, 2005
1ZZJ
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BU of 1zzj by Molmil
Structure of the third KH domain of hnRNP K in complex with 15-mer ssDNA
Descriptor: 5'-D(*TP*TP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*TP*TP*T)-3', Heterogeneous nuclear ribonucleoprotein K
Authors:Backe, P.H, Messias, A.C, Ravelli, R.B, Sattler, M, Cusack, S.
Deposit date:2005-06-14
Release date:2005-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-Ray Crystallographic and NMR Studies of the Third KH Domain of hnRNP K in Complex with Single-Stranded Nucleic Acids
STRUCTURE, 13, 2005
1ZR8
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BU of 1zr8 by Molmil
Crystal Structure of the complex formed between group II phospholipase A2 and a plant alkaloid ajmaline at 2.0A resolution
Descriptor: ACETIC ACID, AJMALINE, Phospholipase A2 VRV-PL-VIIIa, ...
Authors:Mahendra, M, Singh, N, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2005-05-19
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of the complex formed between group II phospholipase A2 and a plant alkaloid ajmaline at 2.0A resolution
To be Published
1ZTL
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BU of 1ztl by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6H-pyrimidin-1-yl}-acetamide
Descriptor: Coagulation factor XI, N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE, SULFATE ION
Authors:Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J.E, Abdel-Meguid, S.S.
Deposit date:2005-05-27
Release date:2006-05-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
1ZW6
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BU of 1zw6 by Molmil
Crystal Structure of the GTP-bound form of RasQ61G
Descriptor: CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Ford, B, Hornak, V, Kleinman, H, Nassar, N.
Deposit date:2005-06-03
Release date:2006-03-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a transient intermediate for GTP hydrolysis by ras.
Structure, 14, 2006
1ZSJ
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BU of 1zsj by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with N-(7-Carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
Descriptor: BICARBONATE ION, Coagulation factor XI, N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE, ...
Authors:Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S.
Deposit date:2005-05-24
Release date:2006-05-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series
To be Published
1ZTW
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BU of 1ztw by Molmil
d(CTTAATTCGAATTAAG) complexed with Moloney Murine Leukemia Virus Reverse Transcriptase catalytic fragment
Descriptor: CTTAATTC, GAATTAAG, Reverse transcriptase
Authors:Goodwin, K.D, Long, E.C, Georgiadis, M.M.
Deposit date:2005-05-27
Release date:2005-08-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A host-guest approach for determining drug-DNA interactions: an example using netropsin.
Nucleic Acids Res., 33, 2005
1ZY4
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BU of 1zy4 by Molmil
Crystal Structure of eIF2alpha Protein Kinase GCN2: R794G Hyperactivating Mutant in Apo Form.
Descriptor: GLYCEROL, Serine/threonine-protein kinase GCN2
Authors:Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K.
Deposit date:2005-06-09
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
1ZUK
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BU of 1zuk by Molmil
Yeast BBC1 Sh3 domain complexed with a peptide from Las17
Descriptor: CHLORIDE ION, MAGNESIUM ION, Myosin tail region-interacting protein MTI1, ...
Authors:Kursula, P, Kursula, I, Lehmann, F, Zou, P, Song, Y.H, Wilmanns, M.
Deposit date:2005-05-31
Release date:2006-08-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics of yeast SH3 domains
To be Published
1ZVH
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BU of 1zvh by Molmil
Crystal structure of the VHH domain D2-L24 in complex with hen egg white lysozyme
Descriptor: Immunoglobulin heavy chain antibody variable domain, Lysozyme C
Authors:De Genst, E, Silence, K, Decanniere, K, Conrath, K, Loris, R, Kinne, J, Muyldermans, S, Wyns, L.
Deposit date:2005-06-02
Release date:2006-04-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for the preferential cleft recognition by dromedary heavy-chain antibodies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1ZWO
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BU of 1zwo by Molmil
NMR structure of murine gamma-S crystallin
Descriptor: Gamma crystallin S
Authors:Wu, Z, Delaglio, F, Wyatt, K, Wistow, G, Bax, A.
Deposit date:2005-06-04
Release date:2005-07-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of (gamma)S-crystallin by molecular fragment replacement NMR.
Protein Sci., 14, 2005
1ZYC
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BU of 1zyc by Molmil
Crystal Structure of eIF2alpha Protein Kinase GCN2: Wild-Type in Apo Form.
Descriptor: Serine/threonine-protein kinase GCN2
Authors:Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K.
Deposit date:2005-06-09
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
207L
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BU of 207l by Molmil
MUTANT HUMAN LYSOZYME C77A
Descriptor: LYSOZYME, N-ACETYL-L-CYSTEINE
Authors:Matsushima, M, Song, H.
Deposit date:1996-03-26
Release date:1996-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A role of PDI in the reductive cleavage of mixed disulfides.
J.Biochem.(Tokyo), 120, 1996
1ZRY
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BU of 1zry by Molmil
NMR structural analysis of apo chicken liver bile acid binding protein
Descriptor: Fatty acid-binding protein, liver
Authors:Ragona, L, Catalano, M, Luppi, M, Cicero, D, Eliseo, T, Foote, J, Fogolari, F, Zetta, L, Molinari, H.
Deposit date:2005-05-23
Release date:2006-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR Dynamic Studies Suggest that Allosteric Activation Regulates Ligand Binding in Chicken Liver Bile Acid-binding Protein
J.Biol.Chem., 281, 2006

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數據於2024-08-07公開中

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