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2KGW
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BU of 2kgw by Molmil
Solution Structure of the carboxy-terminal domain of OmpATb, a pore forming protein from Mycobacterium tuberculosis
Descriptor: Outer membrane protein A
Authors:Yang, Y, Auguin, D, Delbecq, S, Hoh, F, Dumas, E, Molle, V, Saint, N.
Deposit date:2009-03-20
Release date:2010-03-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the Mycobacterium tuberculosis OmpATb protein: A model of an oligomeric channel in the mycobacterial cell wall.
Proteins, 79, 2011
2KGS
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BU of 2kgs by Molmil
Solution structure of the amino-terminal domain of OmpATb, a pore forming protein from Mycobacterium tuberculosis
Descriptor: Uncharacterized protein Rv0899/MT0922
Authors:Yang, Y, Auguin, D, Delbecq, S, Dumas, E, Molle, V, Saint, N.
Deposit date:2009-03-18
Release date:2010-03-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the Mycobacterium tuberculosis OmpATb protein: A model of an oligomeric channel in the mycobacterial cell wall
Proteins, 79, 2011
2JOS
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BU of 2jos by Molmil
Solution structure of piscidin in presence of DPC micelles
Descriptor: Moronecidin
Authors:Campagna, S, Saint, N, Molle, G, Aumelas, A.
Deposit date:2007-03-21
Release date:2007-04-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Structure and mechanism of action of the antimicrobial peptide piscidin
Biochemistry, 46, 2007
1KRQ
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BU of 1krq by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CAMPYLOBACTER JEJUNI FERRITIN
Descriptor: ferritin
Authors:Hortolan, L, Saintout, N, Granier, G, Langlois d'Estaintot, B, Manigand, C, Mizunoe, Y, Wai, S.N, Gallois, B, Precigoux, G.
Deposit date:2002-01-10
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:STRUCTURE OF CAMPYLOBACTER JEJUNI FERRITIN AT 2.7 A RESOLUTION
To be Published
2K8J
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BU of 2k8j by Molmil
Solution structure of HCV p7 tm2
Descriptor: p7tm2
Authors:Montserret, R, Penin, F.
Deposit date:2008-09-12
Release date:2009-01-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure and ion channel activity of the p7 protein from hepatitis C virus.
J.Biol.Chem., 285, 2010
6XKM
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BU of 6xkm by Molmil
Room Temperature Structure of SARS-CoV-2 NSP10/NSP16 Methyltransferase in a Complex with SAM Determined by Fixed-Target Serial Crystallography
Descriptor: 2'-O-methyltransferase, CHLORIDE ION, Non-structural protein 10, ...
Authors:Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-06-26
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
4QL0
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BU of 4ql0 by Molmil
Crystal Structure Analysis of the Membrane Transporter FhaC (double mutant V169T, I176N)
Descriptor: DI(HYDROXYETHYL)ETHER, Filamentous hemagglutinin transporter protein FhaC, HEXAETHYLENE GLYCOL, ...
Authors:Maier, T, Clantin, B, Gruss, F, Dewitte, F, Delattre, A.S, Jacob-Dubuisson, F, Hiller, S, Villeret, V.
Deposit date:2014-06-10
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conserved Omp85 lid-lock structure and substrate recognition in FhaC
Nat Commun, 6, 2015
7JPE
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BU of 7jpe by Molmil
Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography
Descriptor: 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ...
Authors:Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-08-07
Release date:2020-08-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JIB
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BU of 7jib by Molmil
Room Temperature Crystal Structure of Nsp10/Nsp16 from SARS-CoV-2 with Substrates and Products of 2'-O-methylation of the Cap-1
Descriptor: 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, ...
Authors:Wilamowski, M, Minasov, G, Kim, Y, Sherrell, D.A, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
1XKM
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BU of 1xkm by Molmil
NMR structure of antimicrobial peptide distinctin in water
Descriptor: Distinctin chain A, Distinctin chain B
Authors:Amodeo, P, Raimondo, D, Andreotti, G, Motta, A, Scaloni, A.
Deposit date:2004-09-29
Release date:2005-04-05
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:A folding-dependent mechanism of antimicrobial peptide resistance to degradation unveiled by solution structure of distinctin.
Proc.Natl.Acad.Sci.Usa, 102, 2005
7JHE
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BU of 7jhe by Molmil
Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography
Descriptor: 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, ...
Authors:Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-20
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
1GFP
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BU of 1gfp by Molmil
OMPF PORIN (MUTANT R42C)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Lou, K.-L, Schirmer, T.
Deposit date:1996-05-08
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFM
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BU of 1gfm by Molmil
OMPF PORIN (MUTANT D113G)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Lou, K.-L, Schirmer, T.
Deposit date:1996-05-08
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFN
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BU of 1gfn by Molmil
OMPF PORIN DELETION (MUTANT DELTA 109-114)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Lou, K.-L, Schirmer, T.
Deposit date:1996-05-08
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFO
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BU of 1gfo by Molmil
OMPF PORIN (MUTANT R132P)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Lou, K.-L, Schirmer, T.
Deposit date:1996-05-08
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFQ
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BU of 1gfq by Molmil
OMPF PORIN (MUTANT R82C)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Lou, K.-L, Schirmer, T.
Deposit date:1996-05-08
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
3NJT
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BU of 3njt by Molmil
Crystal structure of the R450A mutant of the membrane protein FhaC
Descriptor: Filamentous hemagglutinin transporter protein fhaC
Authors:Clantin, B, Delattre, A.S, Jacob-Dubuisson, F, Villeret, V.
Deposit date:2010-06-18
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Functional importance of a conserved sequence motif in FhaC, a prototypic member of the TpsB/Omp85 superfamily.
Febs J., 277, 2010
4QKY
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BU of 4qky by Molmil
Crystal Structure Analysis of the Membrane Transporter FhaC
Descriptor: Filamentous hemagglutinin transporter protein FhaC, PHOSPHATE ION
Authors:Maier, T, Clantin, B, Gruss, F, Dewitte, F, Delattre, A.S, Jacob-Dubuisson, F, Hiller, S, Villeret, V.
Deposit date:2014-06-10
Release date:2014-10-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Conserved Omp85 lid-lock structure and substrate recognition in FhaC
Nat Commun, 6, 2015
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
Authors:Sheriff, S.
Deposit date:2021-04-01
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.924 Å)
Cite:Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5QCK
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BU of 5qck by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, Coagulation factor XI, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCM
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BU of 5qcm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCL
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BU of 5qcl by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5QCN
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BU of 5qcn by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017

 

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