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7XC9
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BU of 7xc9 by Molmil
X-ray crystal structure of sperm whale myoglobin F46C mutant
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2022-03-23
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystal structure of sperm whale myoglobin F46C mutant
To Be Published
3Q2V
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BU of 3q2v by Molmil
Crystal structure of mouse E-cadherin ectodomain
Descriptor: CALCIUM ION, Cadherin-1, MANGANESE (II) ION, ...
Authors:Jin, X, Harrison, O.J, Shapiro, L.
Deposit date:2010-12-20
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
4B7Q
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BU of 4b7q by Molmil
H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
Authors:Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J.
Deposit date:2012-08-21
Release date:2012-10-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.728 Å)
Cite:H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
7XCQ
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BU of 7xcq by Molmil
X-ray crystal structure of sperm whale myoglobin H64D mutant
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2022-03-25
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystal structure of sperm whale myoglobin H64D mutant
To Be Published
4ATI
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BU of 4ati by Molmil
MITF:M-box complex
Descriptor: 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
Authors:Pogenberg, V, Deineko, V, Wilmanns, M.
Deposit date:2012-05-08
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
3Q4Y
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BU of 3q4y by Molmil
Crystal structure of group I phospholipase A2 at 2.3 A resolution in 40% ethanol revealed the critical elements of hydrophobicity of the substrate-binding site
Descriptor: CALCIUM ION, ETHANOL, Phospholipase A2 isoform 3
Authors:Shukla, P.K, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-12-26
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of group I phospholipase A2 at 2.3 A resolution in 40% ethanol revealed the critical elements of hydrophobicity of the substrate-binding site
To be Published
4K09
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BU of 4k09 by Molmil
Crystal structure of BbTX-II from Bothrops brazili venom
Descriptor: BbTX-II
Authors:Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M.
Deposit date:2013-04-03
Release date:2013-11-20
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.107 Å)
Cite:Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom.
Biochim.Biophys.Acta, 1834, 2013
4DGJ
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BU of 4dgj by Molmil
Structure of a human enteropeptidase light chain variant
Descriptor: Enteropeptidase catalytic light chain
Authors:Zahn, M, Simeonov, P, Straeter, N.
Deposit date:2012-01-26
Release date:2012-04-18
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a supercharged variant of the human enteropeptidase light chain.
Proteins, 80, 2012
4DH6
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BU of 4dh6 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide
Descriptor: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2012-01-27
Release date:2012-04-18
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
4DQB
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BU of 4dqb by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4AYA
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BU of 4aya by Molmil
Crystal structure of ID2 HLH homodimer at 2.1A resolution
Descriptor: ACETATE ION, DNA-BINDING PROTEIN INHIBITOR ID-2, POTASSIUM ION
Authors:Wong, M.V, Jiang, S, Palasingam, P, Kolatkar, P.R.
Deposit date:2012-06-19
Release date:2012-11-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:A Divalent Ion is Crucial in the Structure and Dominant-Negative Function of Id Proteins, a Class of Helix-Loop-Helix Transcription Regulators.
Plos One, 7, 2012
4B49
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BU of 4b49 by Molmil
1.15 A Structure of Lysozyme Crystallized without 2-methyl-2,4- pentanediol
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LYSOZYME C
Authors:Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N.
Deposit date:2012-07-28
Release date:2012-08-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol
Acta Crystallogr.,Sect.D, 71, 2015
4K1T
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BU of 4k1t by Molmil
Gly-Ser-SplB protease from Staphylococcus aureus at 1.60 A resolution
Descriptor: CHLORIDE ION, SULFATE ION, Serine protease SplB, ...
Authors:Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G.
Deposit date:2013-04-05
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
2X6G
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BU of 2x6g by Molmil
X-ray Structure of Macrophage Inflammatory Protein-1 alpha (D27A)
Descriptor: C-C MOTIF CHEMOKINE 3
Authors:Guo, Q, Ren, M, Tang, W.
Deposit date:2010-02-17
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Polymerization of Mip-1 Chemokine (Ccl3 and Ccl4) and Clearance of Mip-1 by Insulin-Degrading Enzyme.
Embo J., 29, 2010
4K06
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BU of 4k06 by Molmil
Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, MTX-II, ...
Authors:Fernandes, C.A.H, Comparetti, E.J, Borges, R.J, Fontes, M.R.M.
Deposit date:2013-04-03
Release date:2013-11-13
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural bases for a complete myotoxic mechanism: Crystal structures of two non-catalytic phospholipases A2-like from Bothrops brazili venom.
Biochim.Biophys.Acta, 1834, 2013
3PPY
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BU of 3ppy by Molmil
Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
4ATH
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BU of 4ath by Molmil
MITF apo structure
Descriptor: MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR, SULFATE ION
Authors:Pogenberg, V, Milewski, M, Wilmanns, M.
Deposit date:2012-05-08
Release date:2012-12-12
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
7XBC
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BU of 7xbc by Molmil
The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lignoceric acid
Descriptor: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ...
Authors:Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lignoceric acid
To Be Published
7XCF
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BU of 7xcf by Molmil
X-ray crystal structure of sperm whale myoglobin T67C mutant
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2022-03-24
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystal structure of sperm whale myoglobin T67C mutant
To Be Published
4DSO
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BU of 4dso by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DSU
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BU of 4dsu by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Descriptor: BENZIMIDAZOLE, GTPase KRas, isoform 2B, ...
Authors:Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
Deposit date:2012-02-19
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4JAC
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BU of 4jac by Molmil
Dehaloperoxidase-Hemoglobin T56S
Descriptor: AZIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Franzen, S, Swartz, P.D.
Deposit date:2013-02-18
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.934 Å)
Cite:The role of T56 in controlling the flexibility of the distal histidine in dehaloperoxidase-hemoglobin from Amphitrite ornata.
Biochim.Biophys.Acta, 1834, 2013
4DWW
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BU of 4dww by Molmil
Crystal Structure of Nattokinase from Bacillus subtilis natto
Descriptor: CALCIUM ION, Subtilisin NAT
Authors:Chatake, T, Yanagisawa, Y.
Deposit date:2012-02-27
Release date:2012-03-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Purification, crystallization and preliminary X-ray diffraction experiment of nattokinase from Bacillus subtilis natto
Acta Crystallogr.,Sect.F, 66, 2010
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
Descriptor: 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine, ACETATE ION, BETA-SECRETASE 1
Authors:Pendrill, R, Kolmodin, K, Johansson, P, Plobeck, N.
Deposit date:2012-07-04
Release date:2013-07-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lead Generation of Bace1 Inhibitors by Coupling Non-Amidine New Warheads to a Known Binding Scaffold
To be Published
4JJB
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BU of 4jjb by Molmil
Crystal structure of the Abl-SH3 domain at pH3
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A, Martin-Garcia, J.M.
Deposit date:2013-03-07
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the Abl-SH3 domain at pH3
To be Published

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