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4ATI
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BU of 4ati by Molmil
MITF:M-box complex
分子名称: 5'-D(*AP*GP*GP*GP*TP*CP*AP*TP*GP*TP*GP*CP*TP*AP*AP*C)-3', 5'-D(*GP*TP*TP*AP*GP*CP*AP*CP*AP*TP*GP*AP*CP*CP*CP*T)-3', MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR
著者Pogenberg, V, Deineko, V, Wilmanns, M.
登録日2012-05-08
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
4ATH
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MITF apo structure
分子名称: MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR, SULFATE ION
著者Pogenberg, V, Milewski, M, Wilmanns, M.
登録日2012-05-08
公開日2012-12-12
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
4B0Q
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BU of 4b0q by Molmil
Lead Generation of BACE1 Inhibitors by Coupling Non-amidine New Warheads to a Known Binding Scaffold
分子名称: 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine, ACETATE ION, BETA-SECRETASE 1
著者Pendrill, R, Kolmodin, K, Johansson, P, Plobeck, N.
登録日2012-07-04
公開日2013-07-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Lead Generation of Bace1 Inhibitors by Coupling Non-Amidine New Warheads to a Known Binding Scaffold
To be Published
4AVS
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BU of 4avs by Molmil
Structure of N-Acetyl-L-Proline bound to Serum Amyloid P Component
分子名称: 1-ACETYL-L-PROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kolstoe, S, Wood, S.P.
登録日2012-05-29
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
分子名称: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4Z36
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BU of 4z36 by Molmil
Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2015-07-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4B55
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BU of 4b55 by Molmil
Crystal Structure of the Covalent Adduct Formed between Mycobacterium marinum Aryalamine N-acetyltransferase and Phenyl vinyl ketone a derivative of Piperidinols
分子名称: 3-hydroxy-1-phenylpropan-1-one, ARYLAMINE N-ACETYLTRANSFERASE NAT
著者Abuhammad, A, Fullam, E, Lowe, E.D, Staunton, D, Kawamura, A, Westwood, I.M, Bhakta, S, Garner, A.C, Wilson, D.L, Seden, P.T, Davies, S.G, Russell, A.J, Garman, E.F, Sim, E.
登録日2012-08-02
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Piperidinols that Show Anti-Tubercular Activity as Inhibitors of Arylamine N-Acetyltransferase: An Essential Enzyme for Mycobacterial Survival Inside Macrophages.
Plos One, 7, 2012
5AEA
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BU of 5aea by Molmil
Crystal structure of human NCAM domain 1
分子名称: CITRATE ANION, NEURAL CELL ADHESION MOLECULE 1
著者Kvansakul, M, Griffiths, K, Foley, M.
登録日2015-08-27
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献I-Bodies, Human Single Domain Antibodies that Antagonize Chemokine Receptor Cxcr4.
J.Biol.Chem., 291, 2016
4AZ4
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BU of 4az4 by Molmil
E.coli deformylase with Co(II) and hydrosulfide
分子名称: COBALT (II) ION, HYDROSULFURIC ACID, PEPTIDE DEFORMYLASE
著者Palm, G.J, Hinrichs, W.
登録日2012-06-22
公開日2012-08-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Fret Enzyme-Based Probe for Monitoring Hydrogen Sulfide.
Inorg.Chem., 51, 2012
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
分子名称: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-21
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4XV2
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BU of 4xv2 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
分子名称: Dabrafenib, Serine/threonine-protein kinase B-raf
著者zhang, Y, zhang, c.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4ZYO
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BU of 4zyo by Molmil
Crystal Structure of Human Integral Membrane Stearoyl-CoA Desaturase with Substrate
分子名称: Acyl-CoA desaturase, DODECYL-BETA-D-MALTOSIDE, STEAROYL-COENZYME A, ...
著者Wang, H, Klein, M.G, Lane, W, Snell, G, Levin, I, Li, K, Zou, H, Sang, B.-C.
登録日2015-05-21
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of human stearoyl-coenzyme A desaturase in complex with substrate.
Nat.Struct.Mol.Biol., 22, 2015
4Y0T
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BU of 4y0t by Molmil
Crystal structure of apo form of OXA-58, a Carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii (P21, 4mol/ASU)
分子名称: Beta-lactamase
著者Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P.
登録日2015-02-06
公開日2016-01-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii.
Antimicrob.Agents Chemother., 60, 2015
4ATT
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BU of 4att by Molmil
FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl para methoxy phenyl
分子名称: 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside, FIMH
著者Bouckaert, J, Touaibia, M, Roos, G, Shiao, T.C, Wang, Q, Papadopoulos, A, Roy, R.
登録日2012-05-09
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh.
Acs Med.Chem.Lett., 4, 2013
4AVT
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BU of 4avt by Molmil
Structure of CPHPC bound to Serum Amyloid P Component
分子名称: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kolstoe, S.E, Purvis, A, Wood, S.P.
登録日2012-05-29
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
2OVF
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BU of 2ovf by Molmil
Crystal Structure of StaL-PAP complex
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, StaL
著者Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2007-02-13
公開日2007-02-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of StaL, a glycopeptide antibiotic sulfotransferase from Streptomyces toyocaensis.
J.Biol.Chem., 282, 2007
5AES
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BU of 5aes by Molmil
Crystal Structure of murine Chronophin (Pyridoxal Phosphate Phosphatase) in Complex with a PNP-derived Inhibitor
分子名称: GLYCEROL, MAGNESIUM ION, PYRIDOXAL PHOSPHATE PHOSPHATASE, ...
著者Knobloch, G, Jabari, N, Koehn, M, Gohla, A, Schindelin, H.
登録日2015-01-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.751 Å)
主引用文献Synthesis of Hydrolysis-Resistant Pyridoxal 5'-Phosphate Analogs and Their Biochemical and X-Ray Crystallographic Characterization with the Pyridoxal Phosphatase Chronophin.
Bioorg.Med.Chem., 23, 2015
4APJ
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BU of 4apj by Molmil
Human angiotensin-converting enzyme in complex with BPPb
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ANGIOTENSIN-CONVERTING ENZYME, ...
著者Masuyer, G, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Acharya, K.R.
登録日2012-04-03
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity by Natural Inhibitory Peptides.
Sci.Rep., 2, 2012
4XFZ
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BU of 4xfz by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2014-12-29
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
400D
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BU of 400d by Molmil
THE INTRINSIC STRUCTURE AND STABILITY OF OUT-OF-ALTERNATION BASE PAIRS IN Z-DNA
分子名称: DNA (5'-D(*(5CM)P*GP*GP*CP*(5CM)P*G)-3')
著者Eichman, B.F, Basham, B, Schroth, G.P, Ho, P.S.
登録日1998-05-28
公開日1998-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The intrinsic structure and stability of out-of-alternation base pairs in Z-DNA.
Nucleic Acids Res., 27, 1999
4ANW
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BU of 4anw by Molmil
Complexes of PI3Kgamma with isoform selective inhibitors.
分子名称: 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
著者Foster, P.G, Lougheed, J.C.
登録日2012-03-22
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
2PJ4
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ9
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
5AV4
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Crystal structure of DAPK1-genistein complex in the presence of bromide ions.
分子名称: BROMIDE ION, Death-associated protein kinase 1, GENISTEIN
著者Yokoyama, T, Mizuguchi, M.
登録日2015-06-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A, Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011

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