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4K8Y
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BU of 4k8y by Molmil
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1)
分子名称: Kallikrein-4, Trypsin inhibitor 1
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-19
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
1CKQ
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BU of 1ckq by Molmil
PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAATTCGCG) COMPLEX
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PROTEIN (ENDONUCLEASE)
著者Horvath, M, Rosenberg, J.M.
登録日1999-04-22
公開日1999-04-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Integration of Recognition and Cleavage: X-Ray Structures of Pre- Transition State and Post-Reactive DNA-Eco Ri Endonuclease Complexes
To be Published
4KM5
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BU of 4km5 by Molmil
X-ray crystal structure of human cyclic GMP-AMP synthase (cGAS)
分子名称: Cyclic GMP-AMP synthase, ZINC ION
著者Kranzusch, P.J, Lee, A.S.Y, Berger, J.M, Doudna, J.A.
登録日2013-05-08
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Structure of Human cGAS Reveals a Conserved Family of Second-Messenger Enzymes in Innate Immunity.
Cell Rep, 3, 2013
1CL8
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BU of 1cl8 by Molmil
A PRE-TRANSITION STATE ECO RI ENDONUCLEASE/COGNATE DNA (TCGCGAPTTCGCG) COMPLEX WITH DNA BASE ANALOG PURINE (P)
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*AP*(PRN)P*TP*TP*CP*GP*CP*G)-3'), PROTEIN (ENDONUCLEASE)
著者Horvath, M, Rosenberg, J.M.
登録日1999-05-06
公開日1999-05-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Iap (Inner-Adenine to Purine): A Cognate EcoRI-DNA Base Analog Complex
To be Published
4KEL
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Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N)
分子名称: Kallikrein-4, Trypsin inhibitor 1
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-25
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.148 Å)
主引用文献KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
4M1Y
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BU of 4m1y by Molmil
Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C
分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase, N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-08-04
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
3W39
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BU of 3w39 by Molmil
Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-52 alpha chain, ...
著者Yagita, Y, Kuse, N, Kuroki, K, Gatanaga, H, Carlson, J.M, Chikata, T, Brumme, Z.L, Murakoshi, H, Akahoshi, T, Pfeifer, N, Mallal, S, John, M, Ose, T, Matsubara, H, Kanda, R, Fukunaga, Y, Honda, K, Kawashima, Y, Ariumi, Y, Oka, S, Maenaka, K, Takiguchi, M.
登録日2012-12-13
公開日2013-02-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Distinct HIV-1 Escape Patterns Selected by Cytotoxic T Cells with Identical Epitope Specificity
J.Virol., 87, 2013
1D3B
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BU of 1d3b by Molmil
CRYSTAL STRUCTURE OF THE D3B SUBCOMPLEX OF THE HUMAN CORE SNRNP DOMAIN AT 2.0A RESOLUTION
分子名称: CITRIC ACID, GLYCEROL, PROTEIN (SMALL NUCLEAR RIBONUCLEOPROTEIN ASSOCIATED PROTEIN B), ...
著者Kambach, C, Walke, S, Avis, J.M, De La Fortelle, E, Li, J, Nagai, K.
登録日1998-12-22
公開日1999-12-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of two Sm protein complexes and their implications for the assembly of the spliceosomal snRNPs.
Cell(Cambridge,Mass.), 96, 1999
1D3Y
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BU of 1d3y by Molmil
STRUCTURE OF THE DNA TOPOISOMERASE VI A SUBUNIT
分子名称: DNA TOPOISOMERASE VI A SUBUNIT, MAGNESIUM ION, SODIUM ION
著者Nichols, M.D, DeAngelis, K.A, Keck, J.L, Berger, J.M.
登録日1999-10-01
公開日1999-11-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and function of an archaeal topoisomerase VI subunit with homology to the meiotic recombination factor Spo11.
EMBO J., 18, 1999
4LPL
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BU of 4lpl by Molmil
Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens
分子名称: CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ...
著者Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P.
登録日2013-07-16
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
1D5F
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BU of 1d5f by Molmil
STRUCTURE OF E6AP: INSIGHTS INTO UBIQUITINATION PATHWAY
分子名称: E6AP HECT CATALYTIC DOMAIN, E3 LIGASE
著者Huang, L, Kinnucan, E, Wang, G, Beaudenon, S, Howley, P.M, Huibregtse, J.M, Pavletich, N.P.
登録日1999-10-07
公開日1999-11-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of an E6AP-UbcH7 complex: insights into ubiquitination by the E2-E3 enzyme cascade.
Science, 286, 1999
4JO8
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BU of 4jo8 by Molmil
Crystal structure of the activating Ly49H receptor in complex with m157 (G1F strain)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor 8, M157
著者Berry, R, Ng, N, Saunders, P.M, Vivian, J.P, Lin, J, Deuss, F.A, Corbett, A.J, Forbes, C.A, Widjaja, J.M, Sullivan, L.C, McAlister, A.D, Perugini, M.A, Call, M.J, Scalzo, A.A, Degli-Esposti, M.A, Coudert, J.D, Beddoe, T, Brooks, A.G, Rossjohn, J.
登録日2013-03-18
公開日2013-05-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Targeting of a natural killer cell receptor family by a viral immunoevasin
Nat.Immunol., 14, 2013
1D6F
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BU of 1d6f by Molmil
CHALCONE SYNTHASE C164A MUTANT
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHALCONE SYNTHASE, SULFATE ION
著者Jez, J.M, Ferrer, J.L, Bowman, M.E, Dixon, R.A, Noel, J.P.
登録日1999-10-13
公開日2000-02-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Dissection of malonyl-coenzyme A decarboxylation from polyketide formation in the reaction mechanism of a plant polyketide synthase.
Biochemistry, 39, 2000
4JXW
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BU of 4jxw by Molmil
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a non-covalent inhibitor 3-{[3-(4-CARBOXYPHENYL)PROPYL]SULFAMOYL}THIOPHENE-2-CARBOXYLIC ACID (compound 6)
分子名称: 3-{[3-(4-carboxyphenyl)propyl]sulfamoyl}thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Powers, R.A, Hendershot, J.M.
登録日2013-03-28
公開日2014-05-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based efforts to optimize a non-beta-lactam inhibitor of AmpC beta-lactamase.
Bioorg.Med.Chem., 22, 2014
3UJB
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BU of 3ujb by Molmil
Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAH and phosphoethanolamine
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Phosphoethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M.
登録日2011-11-07
公開日2011-11-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
3USQ
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BU of 3usq by Molmil
Structure of D159S/Y194F glycogenin mutant truncated at residue 270
分子名称: CHLORIDE ION, GLYCEROL, Glycogenin-1
著者Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
登録日2011-11-23
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
4J9Z
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BU of 4j9z by Molmil
Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and NS309
分子名称: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin, ...
著者Zhang, M, Pascal, J.M, Zhang, J.-F.
登録日2013-02-17
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Unstructured to structured transition of an intrinsically disordered protein peptide in coupling Ca2+-sensing and SK channel activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
3UC1
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Mycobacterium tuberculosis gyrase type IIA topoisomerase C-terminal domain
分子名称: ACETATE ION, CALCIUM ION, DNA gyrase subunit A, ...
著者Tretter, E.M, Berger, J.M.
登録日2011-10-25
公開日2012-03-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mechanisms for Defining Supercoiling Set Point of DNA Gyrase Orthologs: II. THE SHAPE OF THE GyrA SUBUNIT C-TERMINAL DOMAIN (CTD) IS NOT A SOLE DETERMINANT FOR CONTROLLING SUPERCOILING EFFICIENCY.
J.Biol.Chem., 287, 2012
3UEH
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Crystal structure of human Survivin H80A mutant
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, DI(HYDROXYETHYL)ETHER, ...
著者Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
登録日2011-10-30
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
3UJ6
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SeMet Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with SAM and PO4
分子名称: PHOSPHATE ION, Phosphoethanolamine N-methyltransferase, S-ADENOSYLMETHIONINE
著者Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M.
登録日2011-11-07
公開日2011-11-30
最終更新日2012-03-21
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
3UJD
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Phosphoethanolamine methyltransferase mutant (Y19F) from Plasmodium falciparum in complex with phosphocholine
分子名称: PHOSPHOCHOLINE, Phosphoethanolamine N-methyltransferase
著者Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M.
登録日2011-11-07
公開日2011-11-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target.
J.Biol.Chem., 287, 2012
3UK3
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Crystal structure of ZNF217 bound to DNA
分子名称: 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ...
著者Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P.
登録日2011-11-08
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rediscovering DNA recognition by classical Zinc Fingers.
To be Published
4LPK
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Crystal Structure of K-Ras WT, GDP-bound
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-16
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LXM
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Crystal Structure of Human Beta Secretase in Complex with compound 12a
分子名称: (1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1
著者Rondeau, J.M, Bourgier, E.
登録日2013-07-30
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013
4LYH
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Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-07-31
公開日2013-11-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.371 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013

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