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4CLX
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BU of 4clx by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CL8
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BU of 4cl8 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-13
Release date:2015-01-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLO
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BU of 4clo by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
8UQW
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BU of 8uqw by Molmil
Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
7MLD
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BU of 7mld by Molmil
PYL10 bound to the ABA pan-antagonist antabactin
Descriptor: Abscisic acid receptor PYL10, CITRIC ACID, antabactin
Authors:Peterson, F.C, Vaidya, A.S, Volkman, B.F, Cutler, S.R.
Deposit date:2021-04-28
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Click-to-lead design of a picomolar ABA receptor antagonist with potent activity in vivo.
Proc.Natl.Acad.Sci.USA, 118, 2021
8B50
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BU of 8b50 by Molmil
Crystal structure of a Fab fragment in complex with L-hydroxycoumarylalanine
Descriptor: (2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid, Fab fragment K12F9-22 - heavy chain, Fab fragment K12F9-22 - light chain, ...
Authors:Meining, W, Eichinger, A, Skerra, A.
Deposit date:2022-09-21
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Preparation and characterization of monoclonal antibodies against a non natural amino acid carrying the 7-hydroxycoumarin side chain
To be published
6CS0
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BU of 6cs0 by Molmil
SARS Spike Glycoprotein, Trypsin-cleaved, Stabilized variant, one S1 CTD in an upwards conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
Deposit date:2018-03-19
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
3ML2
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BU of 3ml2 by Molmil
Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor
Descriptor: 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R.
Deposit date:2010-04-16
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations.
Bioorg.Med.Chem., 18, 2010
8UQZ
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BU of 8uqz by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ...
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
3LZM
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BU of 3lzm by Molmil
STRUCTURAL STUDIES OF MUTANTS OF T4 LYSOZYME THAT ALTER HYDROPHOBIC STABILIZATION
Descriptor: T4 LYSOZYME
Authors:Wilson, K, Faber, R, Dao-Pin, S, Matthews, B.W.
Deposit date:1989-05-01
Release date:1990-01-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of mutants of T4 lysozyme that alter hydrophobic stabilization.
J.Biol.Chem., 264, 1989
8VDB
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BU of 8vdb by Molmil
Crystal structure of Bacillus subtilis FabHB, beta-ketoacyl carrier protein synthase III
Descriptor: Beta-ketoacyl-[acyl-carrier-protein] synthase III 2, GLYCEROL
Authors:Radka, C.D, Rock, C.O.
Deposit date:2023-12-14
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the fatty acid biosynthesis initiation enzymes in Bacillus subtilis.
J.Struct.Biol., 216, 2024
8UU6
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BU of 8uu6 by Molmil
Cryo-EM structure of the ratcheted Listeria innocua 70S ribosome in complex with p/E-tRNA (structure II-A)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ...
Authors:Seely, S.M, Basu, R.S, Gagnon, M.G.
Deposit date:2023-10-31
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanistic insights into the alternative ribosome recycling by HflXr.
Nucleic Acids Res., 52, 2024
6C8Y
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BU of 6c8y by Molmil
D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
Descriptor: CHLORIDE ION, GLYCEROL, Protease, ...
Authors:Windsor, I.W, Raines, R.T, Forest, K.T.
Deposit date:2018-01-25
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
7JPP
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BU of 7jpp by Molmil
ORC-O2WH: Human Origin Recognition Complex (ORC) with dynamic/unresolved ORC1 AAA+ domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ...
Authors:Jaremko, M.J, Joshua-Tor, L.
Deposit date:2020-08-09
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The dynamic nature of the human Origin Recognition Complex revealed through five cryoEM structures.
Elife, 9, 2020
8UU8
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BU of 8uu8 by Molmil
Cryo-EM structure of the Listeria innocua 70S ribosome (head-swiveled) in complex with HflXr and pe/E-tRNA (structure II-C)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ...
Authors:Seely, S.M, Basu, R.S, Gagnon, M.G.
Deposit date:2023-10-31
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanistic insights into the alternative ribosome recycling by HflXr.
Nucleic Acids Res., 52, 2024
8UUA
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BU of 8uua by Molmil
Cryo-EM structure of the Listeria innocua 50S ribosomal subunit in complex with HflXr (structure III)
Descriptor: 23S Ribosomal RNA, 5S Ribosomal RNA, GTPase HflX, ...
Authors:Seely, S.M, Basu, R.S, Gagnon, M.G.
Deposit date:2023-10-31
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanistic insights into the alternative ribosome recycling by HflXr.
Nucleic Acids Res., 52, 2024
8UU5
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BU of 8uu5 by Molmil
Cryo-EM structure of the Listeria innocua 70S ribosome (head-swiveled) in complex with pe/E-tRNA (structure I-B)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ...
Authors:Seely, S.M, Basu, R.S, Gagnon, M.G.
Deposit date:2023-10-31
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanistic insights into the alternative ribosome recycling by HflXr.
Nucleic Acids Res., 52, 2024
8UU9
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BU of 8uu9 by Molmil
Cryo-EM structure of the ratcheted Listeria innocua 70S ribosome (head-swiveled) in complex with HflXr and pe/E-tRNA (structure II-D)
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ...
Authors:Seely, S.M, Basu, R.S, Gagnon, M.G.
Deposit date:2023-10-31
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Mechanistic insights into the alternative ribosome recycling by HflXr.
Nucleic Acids Res., 52, 2024
6O5H
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BU of 6o5h by Molmil
The effect of modifier structure on the activation of leukotriene A4 hydrolase aminopeptidase activity.
Descriptor: 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine, Leukotriene A-4 hydrolase, ZINC ION
Authors:Noble, S.M, Lee, K.H, Paige, M.
Deposit date:2019-03-03
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Effect of Modifier Structure on the Activation of Leukotriene A4Hydrolase Aminopeptidase Activity.
J.Med.Chem., 62, 2019
7U0M
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BU of 7u0m by Molmil
Crystal structure of a enoyl-[acyl-carrier-protein] reductase (InhA) from Mycobacterium abscessus bound to NAD and NITD-916
Descriptor: 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Acs Infect Dis., 8, 2022
4PDX
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BU of 4pdx by Molmil
Crystal structure of Escherchia coli uncharacterized protein YjcS
Descriptor: GLYCEROL, Putative alkyl/aryl-sulfatase YjcS, SULFATE ION
Authors:Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H.
Deposit date:2014-04-22
Release date:2015-04-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Escherchia coli uncharacterized protein YjcS
To Be Published
8UUK
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BU of 8uuk by Molmil
Pendrin in apo
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, Lauryl Maltose Neopentyl Glycol, ...
Authors:Wang, L, Hoang, A, Zhou, M.
Deposit date:2023-11-01
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
1PU4
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BU of 1pu4 by Molmil
Crystal structure of human vascular adhesion protein-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Salminen, T.A, Airenne, T.T.
Deposit date:2003-06-24
Release date:2005-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the human vascular adhesion protein-1: unique structural features with functional implications.
Protein Sci., 14, 2005
8UMV
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BU of 8umv by Molmil
Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state I (state 5)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
6CS2
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BU of 6cs2 by Molmil
SARS Spike Glycoprotein - human ACE2 complex, Stabilized variant, all ACE2-bound particles
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
Deposit date:2018-03-19
Release date:2018-04-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018

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