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6HS5
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BU of 6hs5 by Molmil
N-terminal domain including the conserved ImpA_N region of the TssA component of the type VI secretion system from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TssA
著者Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
登録日2018-09-28
公開日2018-11-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6HXO
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Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase (space group P21)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ATP-citrate lyase alpha-subunit, CITRATE ANION
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6H03
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OPEN CONFORMATION OF THE MEMBRANE ATTACK COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ...
著者Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D.
登録日2018-07-06
公開日2018-12-19
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
4UMZ
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BU of 4umz by Molmil
PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate group
分子名称: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M, Vieira, D.F.
登録日2014-05-22
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Recognition of Synthetic Substrates by P450 Pikc
To be Published
6HXL
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BU of 6hxl by Molmil
Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate and CoASH (space group P21)
分子名称: 1,2-ETHANEDIOL, ATP-citrate synthase, CITRATE ANION, ...
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6HHC
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Allosteric Inhibition as a new mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated form of Coagulation Factor XI
分子名称: Coagulation factor XI, DIMETHYL SULFOXIDE, FXIA ANTIBODY FAB HEAVY CHAIN, ...
著者Schaefer, M, Buchmueller, A, Dittmer, F, Strassburger, J, Wilmen, A.
登録日2018-08-27
公開日2019-09-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric Inhibition as a New Mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated Form of Coagulation Factor XI.
J.Mol.Biol., 431, 2019
6HXK
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BU of 6hxk by Molmil
Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate
分子名称: 1,2-ETHANEDIOL, ATP-citrate synthase, CITRATE ANION, ...
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6HXM
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Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate and CoASH in space group C2221
分子名称: ATP-citrate synthase, CITRATE ANION, COENZYME A
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6HXN
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BU of 6hxn by Molmil
Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase (space group P3121)
分子名称: ATP-citrate lyase alpha-subunit, COENZYME A, SULFATE ION
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
2VH0
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BU of 2vh0 by Molmil
Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
著者Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P.
登録日2007-11-16
公開日2008-11-25
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
2VH6
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BU of 2vh6 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN
著者Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E.
登録日2007-11-19
公開日2008-12-16
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
3FNV
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BU of 3fnv by Molmil
Crystal Structure of Miner1: The Redox-active 2Fe-2S Protein Causative in Wolfram Syndrome 2
分子名称: CDGSH iron sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER
著者Conlan, A.R, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Yee, D, Zuris, J, Nechushtai, R, Jennings, P.A, Paddock, M.L.
登録日2008-12-26
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Miner1: The redox-active 2Fe-2S protein causative in Wolfram Syndrome 2.
J.Mol.Biol., 392, 2009
4JHW
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BU of 4jhw by Molmil
Crystal Structure of Respiratory Syncytial Virus Fusion Glycoprotein Stabilized in the Prefusion Conformation by Human Antibody D25
分子名称: D25 antigen-binding fragment heavy chain, D25 light chain, Fusion glycoprotein F0
著者Mclellan, J.S, Chen, M, Leung, S, Graepel, K.W, Du, X, Yang, Y, Zhou, T, Baxa, U, Yasuda, E, Beaumont, T, Kumar, A, Modjarrad, K, Zheng, Z, Zhao, M, Xia, N, Kwong, P.D, Graham, B.S.
登録日2013-03-05
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structure of RSV fusion glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Science, 340, 2013
3H5R
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BU of 3h5r by Molmil
Crystal structure of E. coli MccB + Succinimide
分子名称: MccB protein, Microcin C7 analog, SULFATE ION, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-22
公開日2009-06-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3H9Q
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BU of 3h9q by Molmil
Crystal structure of E. coli MccB + SeMet MccA
分子名称: MccB protein, Microcin C7 ANALOG, SULFATE ION, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-30
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3H9J
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BU of 3h9j by Molmil
Crystal structure of E. coli MccB + AMPCPP + SeMeT MccA
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MccB protein, Microcin C7 ANALOG, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-30
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3HPC
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BU of 3hpc by Molmil
Crystal structure of SNX5-PX domain in P21 space group
分子名称: CHLORIDE ION, Snx5 protein
著者Koharudin, L.M.I, Furey, W, Gronenborn, A.M.
登録日2009-06-03
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The Phox domain of sorting nexin 5 lacks ptdins(3)p specificity and preferentially binds to ptdins(4,5)P2
To be Published
4KTY
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BU of 4kty by Molmil
Fibrin-stabilizing factor with a bound ligand
分子名称: CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2013-05-21
公開日2013-12-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LK4
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BU of 4lk4 by Molmil
Structure of Vibrio cholerae VesB protease
分子名称: VESB protease
著者Korotkov, K.V, Delarosa, J.R, Hol, W.G.J.
登録日2013-07-05
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional and Structural Characterization of Vibrio cholerae Extracellular Serine Protease B, VesB.
J.Biol.Chem., 289, 2014
4LF1
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Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with 2-CABP
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
登録日2013-06-26
公開日2014-06-25
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
3H5X
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BU of 3h5x by Molmil
Crystal Structure of 2'-amino-2'-deoxy-cytidine-5'-triphosphate bound to Norovirus GII RNA polymerase
分子名称: 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate), 5'-R(*UP*GP*CP*CP*CP*GP*GP*G)-3', 5'-R(P*UP*GP*CP*CP*CP*GP*GP*GP*C)-3', ...
著者Zamyatkin, D.F, Parra, F, Machin, A, Grochulski, P, Ng, K.K.S.
登録日2009-04-22
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Binding of 2'-amino-2'-deoxycytidine-5'-triphosphate to norovirus polymerase induces rearrangement of the active site.
J.Mol.Biol., 390, 2009
3HQR
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BU of 3hqr by Molmil
PHD2:Mn:NOG:HIF1-alpha substrate complex
分子名称: Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2009-06-08
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
4M9I
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BU of 4m9i by Molmil
A125C NS2B-NS3 protease from dengue virus at pH 5.5
分子名称: NS2B-NS3 protease
著者Yildiz, M, Hardy, J.A.
登録日2013-08-14
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
4M9F
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BU of 4m9f by Molmil
Dengue virus NS2B-NS3 protease A125C variant at pH 8.5
分子名称: NS2B-NS3 protease
著者Yildiz, M, Ghosh, S, Bell, J.A, Sherman, W, Hardy, J.A.
登録日2013-08-14
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
4M9T
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NS2B-NS3 protease from dengue virus in the presence of DTNB, a covalent allosteric inhibitor
分子名称: CHLORIDE ION, NS2B-NS3 protease
著者Bell, J.A, Yildiz, M, Hardy, J.A.
登録日2013-08-15
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013

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