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2VAC
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BU of 2vac by Molmil
Structure of N-terminal Actin Depolymerizing Factor homology (ADF-H) domain of human twinfilin-2
分子名称: 1,2-ETHANEDIOL, TWINFILIN-2, ZINC ION
著者Elkins, J.M, Pike, A.C.W, King, O, Salah, E, Savitsky, P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Knapp, S.
登録日2007-08-30
公開日2007-10-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of N-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin-2
To be Published
6BC9
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BU of 6bc9 by Molmil
Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Kovalevsky, A, McKenna, R, Aggarwal, M.
登録日2017-10-20
公開日2018-02-28
最終更新日2023-10-04
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献"To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation.
Structure, 26, 2018
6BEL
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BU of 6bel by Molmil
Ternary complex crystal structure of DNA polymerase Beta with R-isomer of beta-gamma-CHF-dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ...
著者Batra, V.K, Wilson, S.H.
登録日2017-10-25
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5EL0
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BU of 5el0 by Molmil
Crystal structure of an Oxidoreductase (short chain dehydrogenase/reductase family) from Brucella ovis in complex with a partially ordered NAD
分子名称: CALCIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-11-04
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of an Oxidoreductase (short chain dehydrogenase/reductase family) from Brucella ovis in complex with a partially ordered NAD
to be published
6BQ8
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BU of 6bq8 by Molmil
Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ...
著者Kim, C, Kovalevsky, A, Gerlits, O.
登録日2017-11-27
公開日2018-03-21
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Biochemistry, 57, 2018
6ATN
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BU of 6atn by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: Potassium channel toxin alpha-KTx 4.5
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-08-29
公開日2018-02-28
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
2UZJ
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BU of 2uzj by Molmil
Crystal structure of the mature streptococcal cysteine protease, mSpeB
分子名称: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, STREPTOPAIN
著者Olsen, J.G, Dagil, R, Niclasen, L.M, Soerensen, O.E, Kragelund, B.B.
登録日2008-09-16
公開日2009-09-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the Mature Streptococcal Cysteine Protease Exotoxin Mspeb in its Active Dimeric Form.
J.Mol.Biol., 393, 2009
4Z82
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BU of 4z82 by Molmil
Cysteine bound rat cysteine dioxygenase C164S variant at pH 8.1
分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION
著者Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Kanitz, M, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-04-08
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Influence of cysteine 164 on active site structure in rat cysteine dioxygenase.
J.Biol.Inorg.Chem., 21, 2016
5E2U
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BU of 5e2u by Molmil
Structure of anti-TAU AT8 FAB in the presence of phosphopeptide
分子名称: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, SULFATE ION
著者Malia, T, Teplyakov, A.
登録日2015-10-01
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
5FDY
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BU of 5fdy by Molmil
Crystal structure of the Voltage-gated Sodium Channel Beta 2 subunit extracellular domain, C72A/C75A mutant
分子名称: GLYCEROL, Sodium channel subunit beta-2
著者Das, S, Van Petegem, F.
登録日2015-12-16
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Binary architecture of the Nav1.2-beta 2 signaling complex.
Elife, 5, 2016
2UXG
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BU of 2uxg by Molmil
Pseudoazurin with engineered amicyanin ligand loop, reduced form, pH 5.5
分子名称: CHLORIDE ION, COPPER (II) ION, GLYCEROL, ...
著者Velarde, M, Huber, R, Yanagisawa, S, Dennison, C, Messerschmidt, A.
登録日2007-03-28
公開日2007-08-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Influence of Loop Shortening on the Metal Binding Site of Cupredoxin Pseudoazurin.
Biochemistry, 46, 2007
2V3O
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BU of 2v3o by Molmil
Thrombin with 3-cycle with F
分子名称: (2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID, CALCIUM ION, HIRUDIN IIA, ...
著者Banner, D.W, Wessel, H.P.
登録日2007-06-19
公開日2008-06-24
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007
2V3H
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BU of 2v3h by Molmil
Thrombin with 3-cycle no F
分子名称: (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYLPHENYL}ACETIC ACID, CALCIUM ION, HIRUDIN IIA, ...
著者Banner, D.W, Obst, U.
登録日2007-06-18
公開日2008-06-24
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007
5CCD
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BU of 5ccd by Molmil
Joint X-ray/neutron structure of MTAN D198N complex with SAH
分子名称: Aminodeoxyfutalosine nucleosidase, S-ADENOSYL-L-HOMOCYSTEINE
著者Banco, M.T, Kovalevsky, A.Y, Ronning, D.R.
登録日2015-07-01
公開日2016-11-23
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
主引用文献Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6CR4
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BU of 6cr4 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5FDH
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BU of 5fdh by Molmil
CRYSTAL STRUCTURE OF OXA-405 BETA-LACTAMASE
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Retailleau, P, Oueslati, S, Marchini, L, Dortet, L, Naas, T, Iorga, B.
登録日2015-12-16
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum beta-Lactamase Activity.
Microorganisms, 8, 2019
5FGW
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BU of 5fgw by Molmil
Structure of Sda1 nuclease with bound zinc ion
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C.
登録日2015-12-21
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes.
Nucleic Acids Res., 44, 2016
2W8S
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BU of 2w8s by Molmil
CRYSTAL STRUCTURE OF A catalytically promiscuous PHOSPHONATE MONOESTER HYDROLASE FROM Burkholderia caryophylli
分子名称: FE (III) ION, GLYCEROL, PHOSPHONATE MONOESTER HYDROLASE, ...
著者Jonas, S, van Loo, B, Hyvonen, M, Hollfelder, F.
登録日2009-01-19
公開日2010-02-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Efficient, Multiply Promiscuous Hydrolase in the Alkaline Phosphatase Superfamily.
Proc.Natl.Acad.Sci.USA, 107, 2010
6C73
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BU of 6c73 by Molmil
Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2018-01-19
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Tryptophan synthase Q114A mutant (internal aldimine state) in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) with cesium ion bound in the metal coordination site.
To be Published
6CME
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BU of 6cme by Molmil
Structure of wild-type ISL2-LID in complex with LHX4-LIM1+2
分子名称: LIM/homeobox protein Lhx4,Insulin gene enhancer protein ISL-2, ZINC ION
著者Stokes, P.H, Silva, A, Guss, J.M, Matthews, J.M.
登録日2018-03-04
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Mutation in a flexible linker modulates binding affinity for modular complexes.
Proteins, 87, 2019
5ESP
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BU of 5esp by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-PanMI with coordinated Calcium ions
分子名称: CALCIUM ION, DNA (27-MER), GLYCEROL, ...
著者Hallinan, J.P, Stoddard, B.L.
登録日2015-11-16
公開日2016-03-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
2WEY
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BU of 2wey by Molmil
Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ...
著者Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J.
登録日2009-04-02
公開日2009-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure.
Acta Crystallogr.,Sect.D, 65, 2009
5GIM
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BU of 5gim by Molmil
Crystal structure of thrombin-avathrin complex
分子名称: C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ...
著者Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K.
登録日2016-06-24
公開日2017-05-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum.
FASEB J., 31, 2017
5E2T
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BU of 5e2t by Molmil
Crystal structure of anti-TAU antibody AT8 FAB
分子名称: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, CALCIUM ION
著者Malia, T, Teplyakov, A.
登録日2015-10-01
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
6BEM
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BU of 6bem by Molmil
Ternary complex crystal structure of DNA polymerase Beta with S-isomer of beta-gamma-CHCL-dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, CHLORIDE ION, ...
著者Batra, V.K, Wilson, S.H.
登録日2017-10-25
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018

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