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4BS7
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BU of 4bs7 by Molmil
Hen egg-white lysozyme structure determined at room temperature by in- situ diffraction and SAD phasing in ChipX
分子名称: LYSOZYME C, YTTERBIUM (III) ION
著者Pinker, F, Lorber, B, Olieric, V, Sauter, C.
登録日2013-06-07
公開日2013-10-30
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Chipx: A Novel Microfluidic Chip for Counter- Diffusion Crystallization of Biomolecules and in Situ Crystal Analysis at Room Temperature
Cryst.Growth Des., 13, 2013
3MDM
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BU of 3mdm by Molmil
Thioperamide complex of Cytochrome P450 46A1
分子名称: Cholesterol 24-hydroxylase, N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide, PROTOPORPHYRIN IX CONTAINING FE
著者Mast, N, Charvet, C, Pikuleva, I, Stout, C.D.
登録日2010-03-30
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
6EOF
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BU of 6eof by Molmil
Crystal structure of AMPylated GRP78 in ADP state
分子名称: 78 kDa glucose-regulated protein, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Yan, Y, Preissler, S, Read, R.J, Ron, D.
登録日2017-10-09
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
4BUO
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BU of 4buo by Molmil
High Resolution Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
分子名称: GLYCINE, NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N
著者Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A.
登録日2013-06-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
6ES2
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BU of 6es2 by Molmil
Structure of CDX2-DNA(CAA)
分子名称: DNA (5'-D(P*GP*GP*AP*GP*GP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
著者Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
登録日2017-10-19
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
6E6C
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BU of 6e6c by Molmil
HRAS G13D bound to GppNHp (H13GNP)
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
6E6H
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BU of 6e6h by Molmil
NRAS G13D bound to GppNHp (N13GNP)
分子名称: GTPase NRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Johnson, C.W, Mattos, C.
登録日2018-07-24
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
6E6L
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BU of 6e6l by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F:Y60A mutant of human cellular retinol binding protein II
分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-25
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
3MHW
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BU of 3mhw by Molmil
The complex crystal Structure of Urokianse and 2-Aminobenzothiazole
分子名称: 1,3-benzothiazol-2-amine, SULFATE ION, Urokinase-type plasminogen activator
著者Jiang, L.-G, Yuan, C, Chen, L.-Q, Huang, M.-D.
登録日2010-04-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator
CHIN.J.STRUCT.CHEM., 28, 2009
4CAJ
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BU of 4caj by Molmil
Crystallographic structure of the mouse SIGN-R1 CRD domain in complex with sialic acid
分子名称: CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, CHLORIDE ION, ...
著者Silva-Martin, N, Bartual, S.G, Hermoso, J.A.
登録日2013-10-08
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
6EAU
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BU of 6eau by Molmil
Crystallographic structure of the octapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21.
分子名称: CALCIUM ION, CYS-THR-LYS-SER-ILE-PRO-PRO-CYS, Cationic trypsin, ...
著者Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G.
登録日2018-08-03
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystallographic structure of the octapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21.
To Be Published
3MN6
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BU of 3mn6 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
著者Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
登録日2010-04-21
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4BQC
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BU of 4bqc by Molmil
Crystal structure of the FN5 and FN6 domains of NEO1 bound to SOS
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEOGENIN, ...
著者Bell, C.H, Healey, E, vanErp, S, Bishop, B, Tang, C, Gilbert, R.J.C, Aricescu, A.R, Pasterkamp, R.J, Siebold, C.
登録日2013-05-30
公開日2013-06-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub
Science, 341, 2013
3LZS
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BU of 3lzs by Molmil
Crystal Structure of HIV-1 CRF01_AE Protease in Complex with Darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 protease
著者Schiffer, C.A, Bandaranayake, R.M.
登録日2010-03-01
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways.
J.Virol., 84, 2010
3M35
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BU of 3m35 by Molmil
Trypsin in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)
分子名称: 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, CALCIUM ION, Cationic trypsin
著者Alexander, R.S.
登録日2010-03-08
公開日2010-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor
J.Med.Chem., 46, 2003
3M3B
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BU of 3m3b by Molmil
The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Zn(II)-I107E FeBMb (Zn(II) binding to FeB site)
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION
著者Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y.
登録日2010-03-08
公開日2010-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin.
Proc.Natl.Acad.Sci.USA, 107, 2010
4BVV
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BU of 4bvv by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
3M4V
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BU of 3m4v by Molmil
Crystal structure of the A330P mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-03-12
公開日2011-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the properties of two single-site proline mutants of CYP102A1 (P450BM3)
Chembiochem, 11, 2010
6EQM
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BU of 6eqm by Molmil
Crystal Structure of Human BACE-1 in Complex with CNP520
分子名称: Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide
著者Rondeau, J.-M, Wirth, E.
登録日2017-10-13
公開日2018-09-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease.
EMBO Mol Med, 10, 2018
3MN9
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BU of 3mn9 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
著者Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
登録日2010-04-21
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M7U
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BU of 3m7u by Molmil
Crystal Structure of Alpha-Lytic Protease SB1+2 R64A/E182Q Mutant
分子名称: Alpha-lytic protease, SELF-PROTEOLYSIS PRODUCT (RESIDUES 184-187), SULFATE ION
著者Agard, D.A, Erciyas Bailey, F.P, Waddling, C.A.
登録日2010-03-17
公開日2011-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Quantifying protein unfolding cooperativity with acid sensitive probes: Interdomain salt bridge contributions to unfolding cooperativity are combined efficiently in alpha-Lytic Protease
To be Published
3MNX
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BU of 3mnx by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fourth stage of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
登録日2010-04-22
公開日2010-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.386 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
4BVW
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BU of 4bvw by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
分子名称: 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ...
著者Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
登録日2013-06-28
公開日2014-07-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
3MHD
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BU of 3mhd by Molmil
Crystal structure of DCR3
分子名称: Tumor necrosis factor receptor superfamily member 6B
著者Zhan, C, Patskovsky, Y, Yan, Q, Li, Z, Ramagopal, U.A, Nathenson, S.G, Almo, S.C.
登録日2010-04-07
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Decoy Strategies: The Structure of TL1A:DcR3 Complex.
Structure, 19, 2011
6H3B
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BU of 6h3b by Molmil
Lysozyme: Machining protein microcrystals for structure determination by electron diffraction
分子名称: CHLORIDE ION, Lysozyme C
著者Duyvesteyn, H.M.E, Ginn, H.M, Stuart, D.I.
登録日2018-07-18
公開日2018-09-12
最終更新日2022-03-30
実験手法ELECTRON CRYSTALLOGRAPHY (1.9 Å)
主引用文献Machining protein microcrystals for structure determination by electron diffraction.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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