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6CHP
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BU of 6chp by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate
Descriptor: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CI0
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BU of 6ci0 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Hiser, C, Ferguson-Miller, S.
Deposit date:2018-02-23
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain.
Biochim. Biophys. Acta, 1859, 2018
6CIE
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Structure of human endothelial nitric oxide synthase heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2018-02-23
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
3CMF
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BU of 3cmf by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A.
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
Deposit date:2008-03-21
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
3CHD
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BU of 3chd by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dipeptide
Descriptor: (2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid, Chitinase, SULFATE ION
Authors:Andersen, O.A, van Aalten, D.M.F.
Deposit date:2008-03-09
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CQI
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BU of 3cqi by Molmil
Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with sulfate
Descriptor: L-ribulose-5-phosphate 3-epimerase ulaE, SULFATE ION
Authors:Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2008-04-03
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of L-xylulose-5-Phosphate 3-epimerase (UlaE) from the anaerobic L-ascorbate utilization pathway of Escherichia coli: identification of a novel phosphate binding motif within a TIM barrel fold.
J.Bacteriol., 190, 2008
6CYT
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BU of 6cyt by Molmil
HIV-1 TAR loop in complex with Tat:AFF4:P-TEFb
Descriptor: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
Authors:Schulze Gahmen, U, Hurley, J.H.
Deposit date:2018-04-06
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural mechanism for HIV-1 TAR loop recognition by Tat and the super elongation complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DBL
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BU of 6dbl by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs
Descriptor: CALCIUM ION, Molecule name: Forward strand of 12-RSS substrate DNA, Molecule name: Forward strand of 23-RSS substrate DNA, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (5.001 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
3CTT
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BU of 3ctt by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with Casuarine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CASUARINE, GLYCEROL, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2008-04-14
Release date:2009-02-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Total syntheses of casuarine and its 6-O-alpha-glucoside: complementary inhibition towards glycoside hydrolases of the GH31 and GH37 families
Chemistry, 15, 2009
6DBR
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BU of 6dbr by Molmil
Cryo-EM structure of RAG in complex with one melted RSS and one unmelted RSS
Descriptor: CALCIUM ION, Forward strand of melted RSS substrate DNA, Forward strand of unmelted RSS substrate DNA, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6D6U
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BU of 6d6u by Molmil
Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E.
Deposit date:2018-04-22
Release date:2018-06-27
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
3CZ7
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BU of 3cz7 by Molmil
Molecular Basis for the Autoregulation of the Protein Acetyl Transferase Rtt109
Descriptor: ACETYL COENZYME *A, Regulator of Ty1 transposition protein 109
Authors:Hoelz, A, Stavropoulos, P.
Deposit date:2008-04-28
Release date:2008-09-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the autoregulation of the protein acetyl transferase Rtt109
Proc.Natl.Acad.Sci.Usa, 105, 2008
6DBQ
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BU of 6dbq by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs
Descriptor: CALCIUM ION, Molecule name: Forward strand of 12-RSS substrate DNA, Molecule name: Forward strand of 23-RSS substrate DNA, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.22 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6D68
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BU of 6d68 by Molmil
Ube2G1 in complex with ubiquitin variant Ubv.G1.1
Descriptor: Ubiquitin-conjugating enzyme E2 G1, Ubv.G1.1
Authors:Ceccarelli, D.F, Garg, P, Sidhu, S, Sicheri, F.
Deposit date:2018-04-20
Release date:2019-07-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural and Functional Analysis of Ubiquitin-based Inhibitors That Target the Backsides of E2 Enzymes.
J.Mol.Biol., 432, 2020
3CVS
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BU of 3cvs by Molmil
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Adenine Base Pair
Descriptor: DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(8OG)P*DTP*DGP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DAP*DAP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3'), DNA-3-methyladenine glycosylase 2
Authors:Bowman, B.R, Lee, S, Wang, S, Verdine, G.L.
Deposit date:2008-04-19
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the E. coli DNA Glycosylase AlkA Bound to the Ends of Duplex DNA: A System for the Structure Determination of Lesion-Containing DNA.
Structure, 16, 2008
6DAM
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BU of 6dam by Molmil
Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G
Descriptor: LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE, ...
Authors:Deng, Y, Ro, S.Y, Rosenzweig, A.C.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and function of the lanthanide-dependent methanol dehydrogenase XoxF from the methanotroph Methylomicrobium buryatense 5GB1C.
J. Biol. Inorg. Chem., 23, 2018
3CY1
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BU of 3cy1 by Molmil
Crystal structure of the cytochrome P450 CYP121 S279A mutant from M. tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterisation of active site of cytochrome P450 CYP121
TO BE PUBLISHED
6DBW
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BU of 6dbw by Molmil
Cryo-EM structure of RAG in complex with 12-RSS substrate DNA
Descriptor: CALCIUM ION, Forward strand of 12-RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
3D48
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BU of 3d48 by Molmil
Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
Descriptor: CARBONATE ION, Prolactin, Prolactin receptor
Authors:Svensson, L.A, Breinholt, J.
Deposit date:2008-05-14
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
J.Biol.Chem., 283, 2008
3EHB
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BU of 3ehb by Molmil
A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate
Descriptor: CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ...
Authors:Koepke, J, Mueller, H, Peng, G.
Deposit date:2008-09-12
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate
J.Mol.Biol., 384, 2008
3EJZ
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BU of 3ejz by Molmil
Structure of E203V mutant E.coli Cl-/H+ exchanger, CLC-ec1
Descriptor: BROMIDE ION, Fab fragment, Heavy chain, ...
Authors:Lim, H.-H, Miller, C.
Deposit date:2008-09-18
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Intracellular proton-transfer mutants in a CLC Cl-/H+ exchanger.
J.Gen.Physiol., 133, 2009
3EL2
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BU of 3el2 by Molmil
Crystal Structure of Monomeric Actin Bound to Ca-ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION
Authors:Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M.
Deposit date:2008-09-19
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
3EMN
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BU of 3emn by Molmil
The Crystal Structure of Mouse VDAC1 at 2.3 A resolution
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1
Authors:Ujwal, R, Cascio, D, Colletier, J.-P, Faham, S, Zhang, J, Toro, L, Ping, P, Abramson, J.
Deposit date:2008-09-24
Release date:2008-12-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating
Proc.Natl.Acad.Sci.USA, 105, 2008
3EAU
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BU of 3eau by Molmil
Voltage-dependent K+ channel beta subunit in complex with cortisone
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Voltage-gated potassium channel subunit beta-2
Authors:Pan, Y, Weng, J, Kabaleeswaran, V, Li, H, Cao, Y, Bhosle, R.C, Zhou, M.
Deposit date:2008-08-26
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Nat.Chem.Biol., 4, 2008
3EBD
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Structure of inhibited murine iNOS oxygenase domain
Descriptor: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-27
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008

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