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6MQS
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BU of 6mqs by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide residue 512-519, antibody A12V163-a.01 heavy chain, antibody A12V163-a.01 light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6N1Z
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BU of 6n1z by Molmil
Importin-9 bound to H2A-H2B
Descriptor: Histone H2A, Histone H2B 1.1, Importin-9
Authors:Tomchick, D.R, Chook, Y.M, Padavannil, A.
Deposit date:2018-11-12
Release date:2019-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Importin-9 wraps around the H2A-H2B core to act as nuclear importer and histone chaperone.
Elife, 8, 2019
6N64
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BU of 6n64 by Molmil
Crystal structure of mouse SMCHD1 hinge domain
Descriptor: Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1
Authors:Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M.
Deposit date:2018-11-25
Release date:2020-06-17
Last modified:2021-01-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
6PCI
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BU of 6pci by Molmil
EBOV GPdMuc (Makona) in complex with rEBOV-520 and rEBOV-548 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein, Virion spike glycoprotein,Virion spike glycoprotein,Ebola Virus (Makona) GP2, ...
Authors:Ward, A.B, Murin, C.D, Alkutkar, T.
Deposit date:2019-06-17
Release date:2020-03-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization.
Immunity, 52, 2020
6PPA
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BU of 6ppa by Molmil
Crystal structure of the unliganded bromodomain of human BRD7
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 7, PHOSPHATE ION
Authors:Chan, A, Karim, M.R, Zhu, J, Schonbrunn, E.
Deposit date:2019-07-05
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
4NZK
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BU of 4nzk by Molmil
Crystal structure of a DHHW family protein (EUBSIR_00411) from Eubacterium siraeum DSM 15702 at 1.49 A resolution
Descriptor: 1,2-ETHANEDIOL, UNKNOWN LIGAND, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-12-12
Release date:2014-01-15
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure of a hypothetical protein (EUBSIR_00411) from Eubacterium siraeum DSM 15702 at 1.49 A resolution
To be published
2GBW
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BU of 2gbw by Molmil
Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1
Descriptor: Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ...
Authors:Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S.
Deposit date:2006-03-12
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1.
Bmc Struct.Biol., 7, 2007
1M1J
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BU of 1m1j by Molmil
Crystal structure of native chicken fibrinogen with two different bound ligands
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, Z, Kollman, J.M, Pandi, L, Doolittle, R.F.
Deposit date:2002-06-19
Release date:2002-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Native Chicken Fibrinogen at 2.7 A Resolution
Biochemistry, 40, 2001
4JOE
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BU of 4joe by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide A-iCAL36 (ANSRAPTSII)
Descriptor: A-iCAL36 peptide, GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-03-18
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
6PIO
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BU of 6pio by Molmil
NMR Solution structure of cyclic tachyplesin II
Descriptor: Tachyplesin-2
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PI2
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BU of 6pi2 by Molmil
NMR Solution structure of native tachyplesin II peptide
Descriptor: Tachyplesin II
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-25
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
6PIN
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BU of 6pin by Molmil
NMR Solution structure of cyclic tachyplesin I
Descriptor: Tachyplesin-1
Authors:Harvey, P.J, Troeira Henriques, S, Vernen, F.
Deposit date:2019-06-26
Release date:2019-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterization of Tachyplesin Peptides and Their Cyclized Analogues to Improve Antimicrobial and Anticancer Properties.
Int J Mol Sci, 20, 2019
4J8P
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BU of 4j8p by Molmil
Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Flavodoxin, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-02-14
Release date:2013-03-13
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a Putative flavoprotein (BACUNI_04544) from Bacteroides uniformis ATCC 8492 at 1.50 A resolution
To be published
4JOH
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BU of 4joh by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide H-iCAL36 (ANSRHPTSII)
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, H-iCAL36 peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-03-18
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
6PUA
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BU of 6pua by Molmil
The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
4JOP
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BU of 4jop by Molmil
CFTR Associated Ligand (CAL) PDZ bound to HPV16 E6 oncoprotein C-terminal peptide (TRRETQL)
Descriptor: Golgi-associated PDZ and coiled-coil motif-containing protein, Protein E6
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-03-18
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
6NF2
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BU of 6nf2 by Molmil
Cryo-EM structure of vaccine-elicited antibody 0PV-c.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122
Descriptor: 0PV-c.01 Heavy Chain, 0PV-c.01 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2018-12-18
Release date:2019-07-24
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6BKP
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BU of 6bkp by Molmil
Crystal structure of the A/Michigan/15/2014 (H3N2) influenza virus hemagglutinin apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-11-09
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
7XGO
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BU of 7xgo by Molmil
Human renin in complex with compound2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
Authors:Kashima, A.
Deposit date:2022-04-05
Release date:2022-08-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
6CGL
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BU of 6cgl by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit dAMP-bound as-isolated (pH 4)
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Ribonucleoside-diphosphate reductase, SULFATE ION
Authors:Maggiolo, A.O, Boal, A.K.
Deposit date:2018-02-20
Release date:2018-05-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An endogenous dAMP ligand inBacillus subtilisclass Ib RNR promotes assembly of a noncanonical dimer for regulation by dATP.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6QE6
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BU of 6qe6 by Molmil
Structure of M. capricolum TrmK in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-04
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
7XGK
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BU of 7xgk by Molmil
Human renin in complex with compound1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
Authors:Kashima, A.
Deposit date:2022-04-05
Release date:2022-08-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
7XGP
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BU of 7xgp by Molmil
Human renin in complex with compound3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND
Authors:Kashima, A.
Deposit date:2022-04-05
Release date:2022-09-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor.
J.Med.Chem., 65, 2022
6QE5
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BU of 6qe5 by Molmil
Structure of E.coli RlmJ in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Descriptor: Ribosomal RNA large subunit methyltransferase J, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-04
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
7WEU
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BU of 7weu by Molmil
Crystal structure of Peroxiredoxin I in complex with compound 19-048
Descriptor: Peroxiredoxin-1, UNKNOWN LIGAND
Authors:Zhang, H, Luo, C.
Deposit date:2021-12-24
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Celastrol suppresses colorectal cancer via covalent targeting peroxiredoxin 1.
Signal Transduct Target Ther, 8, 2023

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