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7CM1
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BU of 7cm1 by Molmil
Neuraminidase from the Wuhan Asiatic toad influenza virus
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Wang, J.
Deposit date:2020-07-23
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Lattice-translocation defects in specific crystals of the catalytic head domain of influenza neuraminidase.
Acta Crystallogr D Struct Biol, 76, 2020
6ZTB
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BU of 6ztb by Molmil
Crystal Structure of human P-Cadherin EC1_EC2
Descriptor: CALCIUM ION, Cadherin-3, SODIUM ION
Authors:Rondeau, J.M, Lehmann, S.
Deposit date:2020-07-17
Release date:2021-05-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
5LHV
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BU of 5lhv by Molmil
X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine and sulfate ion at 1.29 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Balaev, V.V, Betzel, C, Mikhailov, A.M.
Deposit date:2016-07-13
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.288 Å)
Cite:X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine and sulfate ion at 1.29 A resolution
To Be Published
4LW9
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BU of 4lw9 by Molmil
Crystal structure of Vibrio cholera major pseudopilin EpsG
Descriptor: CALCIUM ION, CHLORIDE ION, PLATINUM (II) ION, ...
Authors:Vago, F.S, Raghunathan, K, Jens, J.C, Wedemeyer, W.J, Bagdasarian, M, Brunzelle, J.S, Arvidson, D.N.
Deposit date:2013-07-26
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Vibrio cholera major pseudopilin EpsG
To be Published
4LCZ
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BU of 4lcz by Molmil
Crystal structure of a multilayer-packed major light-harvesting complex
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Wan, T, Li, M, Chang, W.R.
Deposit date:2013-06-24
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a multilayer packed major light-harvesting complex: implications for grana stacking in higher plants.
Mol Plant, 7, 2014
5I3J
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BU of 5i3j by Molmil
Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase
Descriptor: SODIUM ION, Triosephosphate isomerase, glycosomal
Authors:Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J.
Deposit date:2016-02-10
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase.
Biochemistry, 55, 2016
5LOQ
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BU of 5loq by Molmil
Structure of coproheme bound HemQ from Listeria monocytogenes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ...
Authors:Puehringer, D, Mlynek, G, Hofbauer, S, Djinovic-Carugo, K, Obinger, C.
Deposit date:2016-08-09
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Hydrogen peroxide-mediated conversion of coproheme to heme b by HemQ-lessons from the first crystal structure and kinetic studies.
FEBS J., 283, 2016
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
4HLS
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BU of 4hls by Molmil
Crystal structure of mutant rabbit PRP 121-230 (S170N)
Descriptor: CHLORIDE ION, GLYCEROL, Major prion protein, ...
Authors:Sweeting, B, Chakrabartty, A, Pai, E.F.
Deposit date:2012-10-17
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:N-Terminal Helix-Cap in alpha-Helix 2 Modulates beta-State Misfolding in Rabbit and Hamster Prion Proteins.
Plos One, 8, 2013
5LRR
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BU of 5lrr by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with glutathione
Descriptor: GLUTATHIONE, HYDROGENPHOSPHATE ION, Listeriolysin positive regulatory factor A, ...
Authors:Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4LGN
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BU of 4lgn by Molmil
The structure of Acidothermus cellulolyticus family 74 glycoside hydrolase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cellulose-binding, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2013-06-28
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of Acidothermus cellulolyticus family 74 glycoside hydrolase at 1.82 angstrom resolution.
Acta Crystallogr.,Sect.F, 69, 2013
5IH2
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BU of 5ih2 by Molmil
Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of CrkII and proline-rich motifs in cAbl
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Adapter molecule crk, DI(HYDROXYETHYL)ETHER, ...
Authors:Bhatt, V.S, Zeng, D, Krieger, I, Sacchettini, J.C, Cho, J.-H.
Deposit date:2016-02-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl.
Biophys.J., 110, 2016
5IO8
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BU of 5io8 by Molmil
Salmonella Typhimurium VirG-like (STV) protein at 2.19 Angstrom resolution solved by Iodine SAD.
Descriptor: IODIDE ION, PHOSPHATE ION, SODIUM ION, ...
Authors:Pandey, N.K, Ray, S, Suar, M, Bhavesh, N.S.
Deposit date:2016-03-08
Release date:2017-03-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Salmonella Typhimurium VirG-like (STV) protein at at 2.19 Angstrom resolution by SAD.
To Be Published
5M67
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BU of 5m67 by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenine and 2'-deoxyadenosine
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, ACETATE ION, ADENINE, ...
Authors:Manszewski, T, Jaskolski, M.
Deposit date:2016-10-24
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystallographic and SAXS studies of S-adenosyl-l-homocysteine hydrolase from Bradyrhizobium elkanii.
IUCrJ, 4, 2017
5IXJ
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BU of 5ixj by Molmil
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with L-threonine non-covalently bound in the active site
Descriptor: SODIUM ION, THREONINE, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Herger, M, Arnold, F.H.
Deposit date:2016-03-23
Release date:2016-08-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Synthesis of beta-Branched Tryptophan Analogues Using an Engineered Subunit of Tryptophan Synthase.
J.Am.Chem.Soc., 138, 2016
4PA4
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BU of 4pa4 by Molmil
Structure of NavMS in complex with channel blocking compound
Descriptor: BROMIDE ION, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-04-07
Release date:2014-06-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PMO
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BU of 4pmo by Molmil
Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c, monoclinic crystal form I
Descriptor: FORMIC ACID, GLYCEROL, SODIUM ION, ...
Authors:Bellinzoni, M, Haouz, A, Shepard, W, Alzari, P.M.
Deposit date:2014-05-22
Release date:2014-10-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural studies suggest a peptidoglycan hydrolase function for the Mycobacterium tuberculosis Tat-secreted protein Rv2525c.
J.Struct.Biol., 188, 2014
5J0S
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BU of 5j0s by Molmil
Binary complex crystal structure of DNA polymerase Beta with C:T mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J0U
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BU of 5j0u by Molmil
Binary complex crystal structure of DNA polymerase Beta with G:G mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5J0T
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BU of 5j0t by Molmil
Binary complex crystal structure of DNA polymerase Beta with G:A mismatch at the primer terminus
Descriptor: DNA polymerase beta, Downstream Primer Strand, Primer Strand, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2016-03-28
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
3CZJ
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BU of 3czj by Molmil
E. COLI (lacZ) BETA-GALACTOSIDASE (N460T) IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ONE
Descriptor: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
Authors:Huber, R.E, Dugdale, M.L, Fraser, M.E, Tammam, S.D.
Deposit date:2008-04-29
Release date:2009-04-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Practical Considerations When Using Temperature to Obtain Rate Constants and Activation Thermodynamics of Enzymes with Two Catalytic Steps: Native and N460T-beta-Galactosidase (E. coli) as Examples.
Protein J., 28, 2009
6VRF
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BU of 6vrf by Molmil
ADP bound TTBK2 kinase domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chodaparambil, J.V, Marcotte, D.J.
Deposit date:2020-02-07
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanisms of Regulation and Diverse Activities of Tau-Tubulin Kinase (TTBK) Isoforms.
Cell Mol Neurobiol, 41, 2021
6Z48
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BU of 6z48 by Molmil
Crystal structure of Thrombin in complex with macrocycle X1vE
Descriptor: 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Angelini, A, Habeshian, S, Heinis, C, Cendron, L.
Deposit date:2020-05-23
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
5JCB
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BU of 5jcb by Molmil
Microtubule depolymerizing agent podophyllotoxin derivative YJTSF1
Descriptor: (5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Guan, Z, Zhao, W, Yin, P.
Deposit date:2016-04-14
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into the Inhibition of Tubulin by the Antitumor Agent 4 beta-(1,2,4-triazol-3-ylthio)-4-deoxypodophyllotoxin.
ACS Chem. Biol., 12, 2017
5MIY
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BU of 5miy by Molmil
Crystal structure of the E3 ubiquitin ligase RavN from Legionella pneumophila
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin ligase RavN, SODIUM ION, ...
Authors:Lucas, M, Abascal-Palacios, G, Rojas, A.L, Hierro, A.
Deposit date:2016-11-29
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.717 Å)
Cite:RavN is a member of a previously unrecognized group of Legionella pneumophila E3 ubiquitin ligases.
PLoS Pathog., 14, 2018

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