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4AZQ
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BU of 4azq by Molmil
Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid 2-arachidonoylglycerol
Descriptor: 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate, CHLORIDE ION, FATTY ACID-BINDING PROTEIN, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
2VQ9
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BU of 2vq9 by Molmil
RNASE ZF-3E
Descriptor: CHLORIDE ION, RNASE 1
Authors:Kazakou, K, Holloway, D.E, Prior, S.H, Subramanian, V, Acharya, K.R.
Deposit date:2008-03-12
Release date:2008-06-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ribonuclease A Homologues of the Zebrafish: Polymorphism, Crystal Structures of Two Representatives and Their Evolutionary Implications
J.Mol.Biol., 380, 2008
4AZY
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BU of 4azy by Molmil
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
Descriptor: (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ...
Authors:Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
3PQZ
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BU of 3pqz by Molmil
Grb7 SH2 with peptide
Descriptor: Growth factor receptor-bound protein 7, cyclic peptide
Authors:Wilce, J.A.
Deposit date:2010-11-29
Release date:2011-07-20
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structural basis of binding by cyclic nonphosphorylated Peptide antagonists of grb7 implicated in breast cancer progression
J.Mol.Biol., 412, 2011
4DLW
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BU of 4dlw by Molmil
H-Ras Set 2 Ca(OAc)2/DTT, on
Descriptor: ACETATE ION, 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 (1.72 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
4AZO
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BU of 4azo by Molmil
Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag removed
Descriptor: CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4KPG
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BU of 4kpg by Molmil
Crystal structure of MycP1 from the ESX-1 type VII secretion system
Descriptor: Membrane-anchored mycosin mycp1
Authors:Solomonson, M, Wasney, G.A, Watanabe, N, Gruninger, R.J, Prehna, G, Strynadka, N.C.J.
Deposit date:2013-05-13
Release date:2013-05-22
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Structure of the Mycosin-1 Protease from the Mycobacterial ESX-1 Protein Type VII Secretion System.
J.Biol.Chem., 288, 2013
3PSX
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BU of 3psx by Molmil
Crystal structure of the KT2 mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
4DQE
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BU of 4dqe by Molmil
Crystal Structure of (G16C/L38C) 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, ACETATE ION, Aspartyl protease
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4KQ8
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BU of 4kq8 by Molmil
Structure of Recombinant Human Cytochrome P450 Aromatase
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
Authors:Ghosh, D, Di Nardo, G, Griswold, J.
Deposit date:2013-05-14
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural basis for the functional roles of critical residues in human cytochrome p450 aromatase.
Biochemistry, 52, 2013
2VVK
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BU of 2vvk by Molmil
Grb2 SH3C (1)
Descriptor: GLYCEROL, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
Authors:Harkiolaki, M, Tsirka, T, Feller, S.M.
Deposit date:2008-06-09
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
2VZM
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BU of 2vzm by Molmil
Crystal structure of the narbomycin-bound PikC D50N mutant
Descriptor: CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, S, Sherman, D.H, Podust, L.M.
Deposit date:2008-08-01
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Analysis of Transient and Catalytic Desosamine Binding Pockets in Cytochrome P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 284, 2009
4DUE
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BU of 4due by Molmil
cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9C6
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DX2
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BU of 4dx2 by Molmil
Crystal structure of the human TRPV4 ankyrin repeat domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Transient receptor potential cation channel subfamily V member 4, ...
Authors:Inada, H, Gaudet, R.
Deposit date:2012-02-27
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and biochemical consequences of disease-causing mutations in the ankyrin repeat domain of the human TRPV4 channel.
Biochemistry, 51, 2012
4KS1
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BU of 4ks1 by Molmil
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
3Q03
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BU of 3q03 by Molmil
Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
Descriptor: CHLORIDE ION, Plasminogen activator inhibitor 1, ZINC ION
Authors:Jensen, J.K, Morth, J.P.
Deposit date:2010-12-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6401 Å)
Cite:Crystal structure of plasminogen activator inhibitor-1 in an active conformation with normal thermodynamic stability.
J.Biol.Chem., 286, 2011
4FYZ
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BU of 4fyz by Molmil
Crystal Structure of Nitrosyl Cytochrome P450cin
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ...
Authors:Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
Deposit date:2012-07-05
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
4BFB
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BU of 4bfb by Molmil
BACE2 XAPERONE COMPLEX
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, XA4813
Authors:Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
Deposit date:2013-03-18
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
4GL5
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BU of 4gl5 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4)
Descriptor: (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
4ATK
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BU of 4atk by Molmil
MITF:E-box complex
Descriptor: 5'-D(*AP*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*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 (2.95 Å)
Cite:Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
4AVE
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BU of 4ave by Molmil
C.lacteus nerve Hb in the deoxy form
Descriptor: ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ...
Authors:Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M.
Deposit date:2012-05-25
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States.
Int.J.Mol.Sci., 13, 2012
2W09
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BU of 2w09 by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Descriptor: CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3, 2009
1GVL
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BU of 1gvl by Molmil
Human prokallikrein 6 (hK6)/ prozyme/ proprotease M/ proneurosin
Descriptor: KALLIKREIN 6
Authors:Gomis-Ruth, F.X, Bayes, A, Sotiropoulou, G, Pampalakis, G, Tsetsenis, T, Villegas, V, Aviles, F.X, Coll, M.
Deposit date:2002-02-14
Release date:2002-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of Human Prokallikrein 6 Reveals a Novel Activation Mechanism for the Kallikrein Family.
J.Biol.Chem., 277, 2002
1GWA
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BU of 1gwa by Molmil
Triiodide derivative of porcine pancreas elastase
Descriptor: CALCIUM ION, ELASTASE 1, IODIDE ION, ...
Authors:Evans, G, Bricogne, G.
Deposit date:2002-03-13
Release date:2002-06-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
4A7D
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BU of 4a7d by Molmil
X-ray crystal structure of HEWL flash-cooled at high pressure
Descriptor: CHLORIDE ION, LYSOZYME C, SODIUM ION
Authors:Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
Deposit date:2011-11-14
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012

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数据于2024-09-11公开中

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