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3PJJ
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BU of 3pjj by Molmil
Synthetic Dimer of Human Carbonic Anhydrase II
Descriptor: 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Kwant, R.L, Moustakas, D.T, Mack, E.T, Butte, M.J, Whitesides, G.W.
Deposit date:2010-11-10
Release date:2012-01-18
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:One Interface Stabilizes Linear Chains in All Polymorphs of Crystals of Human Carbonic Anhydrase II
To be Published
4F3H
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BU of 4f3h by Molmil
The structural of FimXEAL-c-di-GMP from Xanthomonas campestris
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative uncharacterized protein
Authors:Chin, K.-H, Liao, Y.-T, Chou, S.-H.
Deposit date:2012-05-09
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural polymorphism of c-di-GMP bound to an EAL domain and in complex with a type II PilZ-domain protein.
Acta Crystallogr.,Sect.D, 68, 2012
4F48
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BU of 4f48 by Molmil
The X-ray structural of FimXEAL-c-di-GMP-PilZ complexes from Xanthomonas campestris
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative uncharacterized protein, Type IV fimbriae assembly protein
Authors:Chin, K.-H, Liao, Y.-T, Chou, S.-H.
Deposit date:2012-05-10
Release date:2012-11-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural polymorphism of c-di-GMP bound to an EAL domain and in complex with a type II PilZ-domain protein.
Acta Crystallogr.,Sect.D, 68, 2012
4BMX
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BU of 4bmx by Molmil
Native structure of futalosine hydrolase of Helicobacter pylori strain 26695
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, MTA/SAH NUCLEOSIDASE
Authors:Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J.
Deposit date:2013-05-12
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway
Acta Crystallogr.,Sect.D, 70, 2014
2OLG
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BU of 2olg by Molmil
Crystal structure of the serine protease domain of prophenoloxidase activating factor-I in a zymogen form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pro-phenoloxidase activating enzyme-I, ...
Authors:Ha, N.C, Piao, S.
Deposit date:2007-01-19
Release date:2007-02-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the serine protease domain of prophenoloxidase activating factor-I
J.Biol.Chem., 282, 2007
6O5V
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BU of 6o5v by Molmil
Binary complex of native hAChE with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O5S
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BU of 6o5s by Molmil
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
7Z3S
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BU of 7z3s by Molmil
CRYSTAL STRUCTURE of PheF from Geobacillus stearothermophilus
Descriptor: Acetaldehyde dehydrogenase, PHOSPHATE ION
Authors:Driller, R, Haack, M, Brueck, T, Loll, B.
Deposit date:2022-03-02
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
To Be Published
7ZLG
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BU of 7zlg by Molmil
Cryo-EM structure of C-mannosyltransferase CeDPY19, in complex with acceptor peptide and bound to CMT2-Fab and anti-Fab nanobody
Descriptor: Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ...
Authors:Bloch, J.S, Mukherjee, S, Mao, R, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P.
Deposit date:2022-04-15
Release date:2023-01-11
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
7ZLH
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BU of 7zlh by Molmil
Cryo-EM structure of C-mannosyltransferase CeDPY19, in apo state, bound to CMT2-Fab and anti-Fab nanobody
Descriptor: Anti-Fab nanobody, C-mannosyltransferase dpy-19, CMT2-Fab heavy chain, ...
Authors:Bloch, J.S, Mukherjee, S, Irobalieva, R, Kossiakoff, A.A, Goddard-Borger, E.D, Locher, K.P.
Deposit date:2022-04-15
Release date:2023-01-11
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structure, sequon recognition and mechanism of tryptophan C-mannosyltransferase.
Nat.Chem.Biol., 19, 2023
6PWD
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BU of 6pwd by Molmil
Ewingella americana HopBF1 kinase
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Type III effector HopBF1
Authors:Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
Deposit date:2019-07-22
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Bacterial Effector Mimics a Host HSP90 Client to Undermine Immunity.
Cell, 179, 2019
6PWG
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BU of 6pwg by Molmil
Ewingella americana HopBF1 kinase bound to AMP-PNP
Descriptor: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type III effector HopBF1
Authors:Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Bacterial Effector Mimics a Host HSP90 Client to Undermine Immunity.
Cell, 179, 2019
6PU8
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BU of 6pu8 by Molmil
Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease
Authors:Kovalevsky, A, Das, A.
Deposit date:2019-07-17
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
6Q1G
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BU of 6q1g by Molmil
Human antibody H1244 of the human antibody lineage 652
Descriptor: GLYCEROL, H1244 Fab heavy chain, H1244 Fab lambda chain
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-04
Release date:2019-12-18
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6O3Z
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BU of 6o3z by Molmil
Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)
Descriptor: 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant
Authors:Min, X, Wang, Z.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
6Q1E
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BU of 6q1e by Molmil
Inferred precursor (UCA) of the human antibody lineage 652
Descriptor: Fab heavy chain, Fab lambda chain
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-03
Release date:2019-12-18
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q0H
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BU of 6q0h by Molmil
Inferred intermediate I-7 (I-7-0) of the human antibody lineage 652 in complex with influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab lambda chain, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-01
Release date:2019-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q18
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BU of 6q18 by Molmil
Human antibody H1244 in complex with the influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H1244 Fab heavy chain, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-03
Release date:2019-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6O5D
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BU of 6o5d by Molmil
PYOCHELIN
Descriptor: GLYCEROL, Neutrophil gelatinase-associated lipocalin, SULFATE ION
Authors:Rupert, P.B, Strong, R.K, Clifton, M.C, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-03-01
Release date:2019-09-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019
6O66
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BU of 6o66 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-05
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6PTP
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BU of 6ptp by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
Descriptor: HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
Authors:Kovalevsky, A, Das, A.
Deposit date:2019-07-16
Release date:2020-06-10
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
6Q19
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BU of 6q19 by Molmil
Inferred intermediate (I-6) of the human antibody lineage 652
Descriptor: Fab heavy chain, Fab lambda chain
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-03
Release date:2019-12-18
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q1A
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BU of 6q1a by Molmil
Inferred intermediate mutant (I-6V) of the human antibody lineage 652
Descriptor: Fab heavy chain, Fab lambda chain, GLYCEROL
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-03
Release date:2019-12-18
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
7Z1H
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BU of 7z1h by Molmil
VAR2CSA APO
Descriptor: VAR2CSA APO
Authors:Raghavan, S.S.R, Wang, K.T.
Deposit date:2022-02-24
Release date:2022-11-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM reveals the conformational epitope of human monoclonal antibody PAM1.4 broadly reacting with polymorphic malarial protein VAR2CSA.
Plos Pathog., 18, 2022
7Z12
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BU of 7z12 by Molmil
VAR2 complex with PAM1.4
Descriptor: PAM1.4, Heavy Chain, light Chain, ...
Authors:Raghavan, S.S.R, Wang, K.T.
Deposit date:2022-02-24
Release date:2022-11-02
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM reveals the conformational epitope of human monoclonal antibody PAM1.4 broadly reacting with polymorphic malarial protein VAR2CSA.
Plos Pathog., 18, 2022

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