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2Y81
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2Y80
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BU of 2y80 by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
7YSJ
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BU of 7ysj by Molmil
GluK1-1a in nanodisc captured in SYM2081 bound desensitized state
Descriptor: Glutamate receptor
Authors:Dhingra, S, Kumar, J.
Deposit date:2022-08-12
Release date:2023-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Functional Implications of the Exon 9 Splice Insert in GluK1 Kainate Receptors
Elife, 2023
3H5N
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BU of 3h5n by Molmil
Crystal structure of E. coli MccB + ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MccB protein, ...
Authors:Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
Deposit date:2009-04-22
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
8A8K
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BU of 8a8k by Molmil
PAP phosphatase from Methanothermococcus thermolithotrophicus refined to 3.1 A
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Jespersen, M, Wagner, T.
Deposit date:2022-06-23
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Assimilatory sulfate reduction in the marine methanogen Methanothermococcus thermolithotrophicus.
Nat Microbiol, 8, 2023
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
Descriptor: D25 antigen-binding fragment heavy chain, D25 light chain, Fusion glycoprotein F0
Authors: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.
Deposit date:2013-03-05
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of RSV fusion glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Science, 340, 2013
8B0H
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BU of 8b0h by Molmil
2C9, C5b9-CD59 cryoEM structure
Descriptor: CD59 glycoprotein, Complement C5, Complement component C6, ...
Authors:Couves, E.C, Gardner, S, Bubeck, D.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
8AW0
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BU of 8aw0 by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (native)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
8AVZ
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BU of 8avz by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (SeMet derivative)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
3I4Q
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BU of 3i4q by Molmil
Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica
Descriptor: APC40078, SODIUM ION
Authors:Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-02
Release date:2009-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3HQU
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BU of 3hqu by Molmil
PHD2:Fe:UN9:partial HIF1-alpha substrate complex
Descriptor: Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2009-06-08
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
4KTY
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BU of 4kty by Molmil
Fibrin-stabilizing factor with a bound ligand
Descriptor: CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2013-05-21
Release date:2013-12-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
8AQQ
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BU of 8aqq by Molmil
SeMet-derived crystal structure of the N-terminal beta-hairpin docking (bHD) domain of the AerJ halogenase, from the aeruginosin biosynthetic assembly line
Descriptor: AerJ, CHLORIDE ION
Authors:Fage, C.D, Lewandowski, J.R, Challis, G.L.
Deposit date:2022-08-13
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Tandem halogenation and condensation in aeruginosin biosynthesis is directed by docking domain-mediated carrier protein recruitment
To Be Published
8AQR
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BU of 8aqr by Molmil
Native crystal structure of the N-terminal beta-hairpin docking (bHD) domain of the AerJ halogenase, from the aeruginosin biosynthetic assembly line
Descriptor: AerJ, CHLORIDE ION
Authors:Fage, C.D, Lewandowski, J.R, Challis, G.L.
Deposit date:2022-08-13
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Tandem halogenation and condensation in aeruginosin biosynthesis is directed by docking domain-mediated carrier protein recruitment
To Be Published
3HPB
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BU of 3hpb by Molmil
Crystal structure of SNX5-PX domain in P212121 space group
Descriptor: CHLORIDE ION, Snx5 protein
Authors:Koharudin, L.M.I, Furey, W, Gronenborn, A.M.
Deposit date:2009-06-03
Release date:2009-06-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Phox domain of sorting nexin 5 lacks ptdins(3)p specificity and preferentially binds to ptdins(4,5)P2
To be Published
3HQR
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BU of 3hqr by Molmil
PHD2:Mn:NOG:HIF1-alpha substrate complex
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2009-06-08
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
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
Descriptor: 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', ...
Authors:Zamyatkin, D.F, Parra, F, Machin, A, Grochulski, P, Ng, K.K.S.
Deposit date:2009-04-22
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Binding of 2'-amino-2'-deoxycytidine-5'-triphosphate to norovirus polymerase induces rearrangement of the active site.
J.Mol.Biol., 390, 2009
3H9Q
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BU of 3h9q by Molmil
Crystal structure of E. coli MccB + SeMet MccA
Descriptor: MccB protein, Microcin C7 ANALOG, SULFATE ION, ...
Authors:Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
Deposit date:2009-04-30
Release date:2009-06-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.63 Å)
Cite: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
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MccB protein, Microcin C7 ANALOG, ...
Authors:Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
Deposit date:2009-04-30
Release date:2009-06-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
4LK4
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BU of 4lk4 by Molmil
Structure of Vibrio cholerae VesB protease
Descriptor: VESB protease
Authors:Korotkov, K.V, Delarosa, J.R, Hol, W.G.J.
Deposit date:2013-07-05
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional and Structural Characterization of Vibrio cholerae Extracellular Serine Protease B, VesB.
J.Biol.Chem., 289, 2014
3IGM
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BU of 3igm by Molmil
A 2.2A crystal structure of the AP2 domain of PF14_0633 from P. falciparum, bound as a domain-swapped dimer to its cognate DNA
Descriptor: 5'-D(*TP*GP*CP*AP*TP*GP*CP*A)-3', PF14_0633 protein
Authors:Lindner, S.E, De Silva, E, Keck, J.L, Llinas, M.
Deposit date:2009-07-28
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Determinants of DNA Binding by a P. falciparum ApiAP2 Transcriptional Regulator.
J.Mol.Biol., 395, 2010
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
Descriptor: CDGSH iron sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER
Authors:Conlan, A.R, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Yee, D, Zuris, J, Nechushtai, R, Jennings, P.A, Paddock, M.L.
Deposit date:2008-12-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Miner1: The redox-active 2Fe-2S protein causative in Wolfram Syndrome 2.
J.Mol.Biol., 392, 2009
4LF1
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BU of 4lf1 by Molmil
Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with 2-CABP
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
Deposit date:2013-06-26
Release date:2014-06-25
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
3NSW
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BU of 3nsw by Molmil
Crystal Structure of Ancylostoma ceylanicum Excretory-Secretory Protein 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Excretory-secretory protein 2
Authors:Kucera, K, Modis, Y.
Deposit date:2010-07-02
Release date:2011-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ancylostoma ceylanicum Excretory-Secretory Protein 2 Adopts a Netrin-Like Fold and Defines a Novel Family of Nematode Proteins.
J.Mol.Biol., 408, 2011
4M9I
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BU of 4m9i by Molmil
A125C NS2B-NS3 protease from dengue virus at pH 5.5
Descriptor: NS2B-NS3 protease
Authors:Yildiz, M, Hardy, J.A.
Deposit date:2013-08-14
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013

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數據於2024-08-28公開中

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