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6LL5
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BU of 6ll5 by Molmil
Crystal structure of KpFtsZ (residues 11-316)
Descriptor: Cell division protein FtsZ, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE
Authors:Yoshizawa, T, Fujita, J, Terakado, H, Ozawa, M, Kuroda, N, Tanaka, S, Uehara, R, Matsumura, H.
Deposit date:2019-12-21
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of the cell-division protein FtsZ from Klebsiella pneumoniae and Escherichia coli.
Acta Crystallogr.,Sect.F, 76, 2020
6LL6
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BU of 6ll6 by Molmil
Crsyal structure of EcFtsZ (residues 11-316)
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Yoshizawa, T, Fujita, J, Terakada, H, Ozawa, M, Kuroda, N, Tanaka, S, Uehara, R, Matsumura, H.
Deposit date:2019-12-21
Release date:2020-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the cell-division protein FtsZ from Klebsiella pneumoniae and Escherichia coli.
Acta Crystallogr.,Sect.F, 76, 2020
6LL3
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BU of 6ll3 by Molmil
Crystal structure of lysozyme by fixed-target serial femtosecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Nam, K.H.
Deposit date:2019-12-21
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of lysozyme by fixed-target serial femtosecond crystallography
To Be Published
6TS6
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BU of 6ts6 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ...
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6TS7
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BU of 6ts7 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6LKR
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BU of 6lkr by Molmil
Crystal structure of mouse DCAR2 CRD domain complex
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, C-type lectin domain family 4, member b1, ...
Authors:Omahdi, Z, Horikawa, Y, Toyonaga, K, Kakuta, Y, Yamasaki, S.
Deposit date:2019-12-20
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural insight into the recognition of pathogen-derived phosphoglycolipids by C-type lectin receptor DCAR.
J.Biol.Chem., 295, 2020
6VCB
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BU of 6vcb by Molmil
Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator
Descriptor: 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
Authors:Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K.
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into probe-dependent positive allosterism of the GLP-1 receptor.
Nat.Chem.Biol., 16, 2020
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
Deposit date:2019-12-20
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
6TSD
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BU of 6tsd by Molmil
Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752
Descriptor: CALCIUM ION, CHLORIDE ION, Capsid protein VP1, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2019-12-20
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Pentavalent Sialic Acid Conjugates Block Coxsackievirus A24 Variant and Human Adenovirus Type 37-Viruses That Cause Highly Contagious Eye Infections.
Acs Chem.Biol., 15, 2020
6LKQ
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BU of 6lkq by Molmil
The Structural Basis for Inhibition of Ribosomal Translocation by Viomycin
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhang, L, Wang, Y.H, Lancaster, L, Zhou, J, Noller, H.F.
Deposit date:2019-12-20
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structural basis for inhibition of ribosomal translocation by viomycin.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TS5
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BU of 6ts5 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ...
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-20
Release date:2020-07-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6VCE
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BU of 6vce by Molmil
HIV-1 wild type protease with GRL-026-18A, a crown-like tetrahydropyranotetrahydrofuran with a bridged methylene group as a P2 ligand
Descriptor: CHLORIDE ION, GLYCEROL, N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide, ...
Authors:Wang, Y.-F, Kneller, D.W, Weber, I.T.
Deposit date:2019-12-20
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities.
Acs Med.Chem.Lett., 11, 2020
6TS4
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BU of 6ts4 by Molmil
Coagulation factor XI protease domain in complex with active site inhibitor
Descriptor: 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ...
Authors:Renatus, M, Schiering, N.
Deposit date:2019-12-19
Release date:2020-07-08
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
6VBS
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BU of 6vbs by Molmil
The C2 Crystal form of SodCI Superoxide Dismutase at 1.7 A resolution with 6 molecules in the asymmetric unit.
Descriptor: COPPER (II) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Satyshur, K.A, Forest, K.T, Newhouse, P.W.
Deposit date:2019-12-19
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Muropeptide Binding of the Virulence Factor Superoxide Dismutase C1 from Salmonella Typhimurium
To Be Published
6VBV
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BU of 6vbv by Molmil
Structure of the bovine BBSome:ARL6:GTP complex
Descriptor: ADP-ribosylation factor-like protein 6, BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, ...
Authors:Singh, S.K, Gui, M, Koh, F, Yip, M.C.J, Brown, A.
Deposit date:2019-12-19
Release date:2020-01-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and activation mechanism of the BBSome membrane protein trafficking complex.
Elife, 9, 2020
6VBT
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BU of 6vbt by Molmil
The P212121 Crystal structure of SodCI Superoxide Dismutase with 2 molecules in the asymmetric unit at 1.7 A resolution
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Satyshur, K.A, Forest, K.T, Newhouse, P.W.
Deposit date:2019-12-19
Release date:2020-12-30
Last modified:2022-03-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Muropeptide Binding of the Virulence Factor Superoxide Dismutase C1 from Salmonella Typhimurium
To Be Published
6VBY
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BU of 6vby by Molmil
Cinnamate 4-hydroxylase (C4H1) from Sorghum bicolor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cinnamic acid 4-hydroxylase, GLYCEROL, ...
Authors:Zhang, B, Kang, C, Lewis, K.M.
Deposit date:2019-12-19
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and Function of the Cytochrome P450 Monooxygenase Cinnamate 4-hydroxylase fromSorghum bicolor.
Plant Physiol., 183, 2020
6TR0
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BU of 6tr0 by Molmil
Solution structure of U2AF2 RRM1,2
Descriptor: Splicing factor U2AF 65 kDa subunit
Authors:Kang, H.-S, Sattler, M.
Deposit date:2019-12-17
Release date:2020-05-06
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:An autoinhibitory intramolecular interaction proof-reads RNA recognition by the essential splicing factor U2AF2.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LK0
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BU of 6lk0 by Molmil
Crystal structure of human wild type TRIP13
Descriptor: Pachytene checkpoint protein 2 homolog
Authors:Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J.
Deposit date:2019-12-17
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020

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