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5AJA
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BU of 5aja by Molmil
Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396)
分子名称: PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ...
著者Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A.
登録日2015-02-20
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx.
Cell Host Microbe., 17, 2015
4GOM
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BU of 4gom by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Aza-SAM
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine, DNA adenine methylase
著者Harmer, J.E, Roach, P.L.
登録日2012-08-20
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
6X9N
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BU of 6x9n by Molmil
Pseudomonas aeruginosa MurC with AZ5595
分子名称: (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Horanyi, P.S, Mayclin, S.J, Durand-Reville, T.F, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-06-03
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Pseudomonas aeruginosa MurC with AZ5595
To Be Published
6B9Z
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BU of 6b9z by Molmil
Trastuzumab Fab v3
分子名称: Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ...
著者Bzymek, K.P, King, J.D, Williams, J.C.
登録日2017-10-11
公開日2018-09-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
2CFH
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BU of 2cfh by Molmil
Structure of the Bet3-TPC6B core of TRAPP
分子名称: PALMITIC ACID, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 3, TRAFFICKING PROTEIN PARTICLE COMPLEX SUBUNIT 6B
著者Kummel, D, Muller, J.J, Roske, Y, Henke, N, Heinemann, U.
登録日2006-02-21
公開日2006-07-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Bet3-Tpc6B Core of Trapp: Two Tpc6 Paralogs Form Trimeric Complexes with Bet3 and Mum2.
J.Mol.Biol., 361, 2006
6B9Y
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BU of 6b9y by Molmil
Trastuzumab Fab v3 in complex with 5-phenyl meditope variant
分子名称: Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ...
著者Bzymek, K.P, King, J.D, Williams, J.C.
登録日2017-10-11
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
4YYN
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BU of 4yyn by Molmil
Crystal structure of TAF1 BD2 Bromodomain bound to a crotonyllysine peptide
分子名称: Histone H4, Transcription initiation factor TFIID subunit 1
著者Tang, Y, Bellon, S, Cochran, A.G, Poy, F.
登録日2015-03-24
公開日2015-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Structure, 23, 2015
4GPF
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BU of 4gpf by Molmil
Structure of the Fe3+-biliverdin-HmuO, heme oxygenase from Corynebacterium diphtheriae (data set III)
分子名称: BILIVERDINE IX ALPHA, FE (III) ION, Heme oxygenase, ...
著者Unno, M, Ikeda-Saito, M.
登録日2012-08-20
公開日2013-08-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
5AKK
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BU of 5akk by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 6-bromo-1,3-dihydro-2H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AKD
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BU of 5akd by Molmil
MutS in complex with the N-terminal domain of MutL - crystal form 3
分子名称: DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K.
登録日2015-03-03
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (7.6 Å)
主引用文献MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.
Elife, 4, 2015
4Z0F
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BU of 4z0f by Molmil
Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038(6CW)] peptide
分子名称: Apical membrane antigen 1, Rhoptry neck protein 2
著者Wang, G, McGowan, S, Norton, R.S, Scanlon, M.J.
登録日2015-03-26
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Studies of beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
J.Mol.Biol., 428, 2016
6WPK
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BU of 6wpk by Molmil
SARM1 Autoinhibited Conformation
分子名称: NAD(+) hydrolase SARM1
著者Xie, T, Bratkowski, M, Bai, X, Sambashivan, S.
登録日2020-04-27
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and Mechanistic Regulation of the Prodegenerative NAD Hydrolase SARM1
Cell Rep, 32, 2020
4GS3
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BU of 4gs3 by Molmil
Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tencongensis solved ab initio
分子名称: Single-stranded DNA-binding protein
著者Liebschner, D, Brzezinski, K, Dauter, M, Dauter, Z, Nowak, M, Kur, J, Olszewski, M.
登録日2012-08-27
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio.
Acta Crystallogr.,Sect.D, 68, 2012
4Z0Q
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BU of 4z0q by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-26
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
6BCE
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BU of 6bce by Molmil
Wild-type I-LtrI bound to cognate substrate (pre-cleavage complex)
分子名称: CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein
著者Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M.
登録日2017-10-20
公開日2018-10-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
6WDY
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BU of 6wdy by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indole Phenylhydroxamate Inhibitor
分子名称: 1,2-ETHANEDIOL, N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-04-01
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
4H6C
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BU of 4h6c by Molmil
Crystal Structure of the Allene Oxide Cyclase 1 from Physcomitrella patens
分子名称: Allene oxide cyclase, HEXANE-1,6-DIOL, PHOSPHATE ION
著者Neumann, P, Ficner, R.
登録日2012-09-19
公開日2012-10-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
5AI9
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BU of 5ai9 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 2-bromo-4-tert-butyl-6-{[(3-phenylpropyl)amino]methyl}phenol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-02-12
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4Z1J
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BU of 4z1j by Molmil
Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV)
分子名称: 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P.
登録日2015-03-27
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
6BET
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BU of 6bet by Molmil
Solution structure of de novo macrocycle design12_ss
分子名称: H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL)
著者Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
登録日2017-10-25
公開日2017-12-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
3G17
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BU of 3g17 by Molmil
Structure of putative 2-dehydropantoate 2-reductase from staphylococcus aureus
分子名称: Similar to 2-dehydropantoate 2-reductase
著者Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-01-29
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of putative 2-dehydropantoate 2-reductase from staphylococcus aureus
To be published
2CMT
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BU of 2cmt by Molmil
The structure of reduced cyclophilin A from s. mansoni
分子名称: ACETATE ION, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E
著者Gourlay, L.J, Angelucci, F, Bellelli, A, Boumis, G, Miele, A.E, Brunori, M.
登録日2006-05-12
公開日2007-05-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Three-Dimensional Structure of Two Redox States of Cyclophilin a from Schistosoma Mansoni. Evidence for Redox Regulation of Peptidyl-Prolyl Cis-Trans Isomerase Activity.
J.Biol.Chem., 282, 2007
2CN6
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BU of 2cn6 by Molmil
Recombinant human H ferritin, K86Q and E107D mutant, soaked with Zn ions
分子名称: CALCIUM ION, FERRITIN HEAVY CHAIN, GLYCEROL, ...
著者Toussaint, L, Crichton, R.R, Declercq, J.P.
登録日2006-05-18
公開日2006-12-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-Resolution X-Ray Structures of Human Apoferritin H-Chain Mutants Correlated with Their Activity and Metal-Binding Sites.
J.Mol.Biol., 365, 2007
5AIC
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BU of 5aic by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 7-methyl-2H-1,4-benzothiazin-3(4H)-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-02-12
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015

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