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8H53
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BU of 8h53 by Molmil
Human asparaginyl-tRNA synthetase in complex with asparagine-AMP
分子名称: 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparagine--tRNA ligase, cytoplasmic, ...
著者Park, J.S, Han, B.W.
登録日2022-10-12
公開日2023-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
5HX6
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BU of 5hx6 by Molmil
Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one
分子名称: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Campobasso, N, Ward, P.
登録日2016-01-29
公開日2016-03-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
7SIE
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BU of 7sie by Molmil
Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis
分子名称: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
著者Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
登録日2021-10-13
公開日2022-10-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
7SJK
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BU of 7sjk by Molmil
Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus
分子名称: CALCIUM ION, Pls Plasmin sensitive surface protein
著者Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-18
公開日2022-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
5HVD
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BU of 5hvd by Molmil
Full length Open-form Sodium Channel NavMs I218C
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, HEGA-10, ...
著者Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A.
登録日2016-01-28
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
1FIE
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BU of 1fie by Molmil
RECOMBINANT HUMAN COAGULATION FACTOR XIII
分子名称: COAGULATION FACTOR XIII
著者Yee, V.C, Teller, D.C.
登録日1996-08-24
公開日1997-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural evidence that the activation peptide is not released upon thrombin cleavage of factor XIII.
Thromb.Res., 78, 1995
3CSJ
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BU of 3csj by Molmil
Human glutathione s-transferase p1-1 in complex with chlorambucil
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ...
著者Parker, L.J.
登録日2008-04-09
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
1C6Z
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BU of 1c6z by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEIN (PROTEASE)
著者Munshi, S.
登録日1999-12-28
公開日2000-12-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1BMA
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BU of 1bma by Molmil
BENZYL METHYL AMINIMIDE INHIBITOR COMPLEXED TO PORCINE PANCREATIC ELASTASE
分子名称: (1R)-1-benzyl-1-methyl-1-(2-{[4-(1-methylethyl)phenyl]amino}-2-oxoethyl)-2-{(2S)-4-methyl-2-[(trifluoroacetyl)amino]pentanoyl}diazanium, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Peisach, E, Casebier, D, Gallion, S.L, Furth, P, Petsko, G.A, Hogan Jr, J.C, Ringe, D.
登録日1995-05-01
公開日1995-12-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interaction of a peptidomimetic aminimide inhibitor with elastase.
Science, 269, 1995
8YD7
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BU of 8yd7 by Molmil
Structure of FADD/Caspase-8/cFLIP death effector domain assembly
分子名称: CASP8 and FADD-like apoptosis regulator subunit p12, Caspase-8, FAS-associated death domain protein, ...
著者Lin, S.-C, Yang, C.-Y.
登録日2024-02-19
公開日2024-05-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Deciphering DED assembly mechanisms in FADD-procaspase-8-cFLIP complexes regulating apoptosis.
Nat Commun, 15, 2024
8YBX
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BU of 8ybx by Molmil
Structure of the FADD/Caspase-8/cFLIP death effector domain assembly
分子名称: CASP8 and FADD-like apoptosis regulator subunit p43, Caspase-8 subunit p10, FAS-associated death domain protein
著者Lin, S.-C, Yang, C.-Y.
登録日2024-02-16
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Deciphering DED assembly mechanisms in FADD-procaspase-8-cFLIP complexes regulating apoptosis.
Nat Commun, 15, 2024
8YD8
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BU of 8yd8 by Molmil
Structure of FADD/Caspase-8/cFLIP death effector domain assembly
分子名称: CASP8 and FADD-like apoptosis regulator subunit p43, Caspase-8, FAS-associated death domain protein
著者Lin, S.-C, Yang, C.-Y.
登録日2024-02-19
公開日2024-05-15
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Deciphering DED assembly mechanisms in FADD-procaspase-8-cFLIP complexes regulating apoptosis.
Nat Commun, 15, 2024
7ZNO
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BU of 7zno by Molmil
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Boronate Inhibitor MI-2270
分子名称: Serine protease NS3, Serine protease subunit NS2B, [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2022-04-21
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease.
Chemmedchem, 18, 2023
8A5L
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BU of 8a5l by Molmil
TRIM7 PRYSPRY in complex with a 2BC peptide TIEALFQ
分子名称: 2BC peptide TIEALFQ, D(-)-TARTARIC ACID, E3 ubiquitin-protein ligase TRIM7
著者Luptak, J.
登録日2022-06-15
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
8A5M
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BU of 8a5m by Molmil
TRIM7 PRYSPRY in complex with a MNV1-NS6 peptide LEALEFQ
分子名称: E3 ubiquitin-protein ligase TRIM7, MNV1-NS6 peptide LEALEFQ, PHOSPHATE ION
著者Luptak, J.
登録日2022-06-15
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
7ZYS
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BU of 7zys by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2227
分子名称: 1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Steinmetzer, T.
登録日2022-05-25
公開日2022-07-13
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
8Q5P
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BU of 8q5p by Molmil
Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1
分子名称: Activated CDC42 kinase 1, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ...
著者Mechaly, A, Le Coadou, L, Dupret, J.M, Haouz, A, Rodrigues Lima, F.
登録日2023-08-09
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.814 Å)
主引用文献Structural and enzymatic evidence for the methylation of the ACK1 tyrosine kinase by the histone lysine methyltransferase SETD2.
Biochem.Biophys.Res.Commun., 695, 2024
8RXN
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BU of 8rxn by Molmil
REFINEMENT OF RUBREDOXIN FROM DESULFOVIBRIO VULGARIS AT 1.0 ANGSTROMS WITH AND WITHOUT RESTRAINTS
分子名称: FE (III) ION, RUBREDOXIN, SULFATE ION
著者Dauter, Z, Sieker, L, Wilson, K.
登録日1991-08-26
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Refinement of rubredoxin from Desulfovibrio vulgaris at 1.0 A with and without restraints.
Acta Crystallogr.,Sect.B, 48, 1992
2TSB
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BU of 2tsb by Molmil
AZURIN MUTANT M121A-AZIDE
分子名称: AZIDE ION, AZURIN AZIDE, COPPER (II) ION
著者Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L.
登録日1996-05-10
公開日1996-11-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
2RHK
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Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cleavage and polyadenylation specificity factor subunit 4, NITRATE ION, ...
著者Das, K, Ma, L.-C, Xiao, R, Radvansky, B, Aramini, J, Zhao, L, Arnold, E, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2007-10-09
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for suppression of a host antiviral response by influenza A virus.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2TSA
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BU of 2tsa by Molmil
AZURIN MUTANT M121A
分子名称: AZURIN, COPPER (II) ION
著者Tsai, L.-C, Bonander, N, Harata, K, Karlsson, B.G, Vanngard, T, Langer, V, Sjolin, L.
登録日1996-05-10
公開日1996-11-08
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutant Met121Ala of Pseudomonas aeruginosa azurin and its azide derivative: crystal structures and spectral properties.
Acta Crystallogr.,Sect.D, 52, 1996
2SAS
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BU of 2sas by Molmil
STRUCTURE OF A SARCOPLASMIC CALCIUM-BINDING PROTEIN FROM AMPHIOXUS REFINED AT 2.4 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, SARCOPLASMIC CALCIUM-BINDING PROTEIN
著者Cook, W.J, Babu, Y.S, Cox, J.A.
登録日1993-07-30
公開日1993-10-31
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a sarcoplasmic calcium-binding protein from amphioxus refined at 2.4 A resolution.
J.Mol.Biol., 229, 1993
1IGI
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BU of 1igi by Molmil
26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE COMPLEMENTARITY
分子名称: IGG2A-KAPPA 26-10 FAB (HEAVY CHAIN), IGG2A-KAPPA 26-10 FAB (LIGHT CHAIN)
著者Jeffrey, P.D, Sheriff, S.
登録日1993-02-19
公開日1993-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity.
Proc.Natl.Acad.Sci.USA, 90, 1993
1IGJ
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26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE COMPLEMENTARITY
分子名称: DIGOXIN, IGG2A-KAPPA 26-10 FAB (HEAVY CHAIN), IGG2A-KAPPA 26-10 FAB (LIGHT CHAIN)
著者Jeffrey, P.D, Sheriff, S.
登録日1993-02-19
公開日1993-04-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity.
Proc.Natl.Acad.Sci.USA, 90, 1993
7EYI
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Crystal structure of ZBTB7A in complex with gamma-globin -200 sequence element with C-194A mutation
分子名称: BORIC ACID, DNA (5'-D(*AP*TP*AP*GP*GP*GP*CP*CP*CP*CP*TP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*GP*GP*AP*AP*GP*GP*GP*GP*CP*CP*CP*TP*A)-3'), ...
著者Yang, Y, Shi, Y.Y.
登録日2021-05-31
公開日2021-09-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021

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