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5I0L
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BU of 5i0l by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
Descriptor: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-04
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
7LPV
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BU of 7lpv by Molmil
X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2
Descriptor: CALCIUM ION, Proteinase K, SULFATE ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-12
Release date:2022-02-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
5VL6
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BU of 5vl6 by Molmil
Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
Descriptor: Peptide 38138
Authors:Bermudez, A, Patarroyo, M.E.
Deposit date:2017-04-25
Release date:2018-09-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
To Be Published
7LQP
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BU of 7lqp by Molmil
Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
Descriptor: 2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2021-02-15
Release date:2022-02-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
1SL4
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BU of 1sl4 by Molmil
Crystal Structure of DC-SIGN carbohydrate recognition domain complexed with Man4
Descriptor: CALCIUM ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose, mDC-SIGN1B type I isoform
Authors:Guo, Y, Feinberg, H, Conroy, E, Mitchell, D.A, Alvarez, R, Blixt, O, Taylor, M.E, Weis, W.I, Drickamer, K.
Deposit date:2004-03-05
Release date:2004-06-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for distinct ligand-binding and targeting properties of the receptors DC-SIGN and DC-SIGNR
Nat.Struct.Mol.Biol., 11, 2004
7LOR
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BU of 7lor by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 3
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-10
Release date:2022-02-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
5VE8
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BU of 5ve8 by Molmil
Crystal structure of full-length Kluyveromyces lactis Kap123 with histone H3 1-28
Descriptor: Histone H3, Kap123
Authors:An, S, Yoon, J, Song, J.-J, Cho, U.-S.
Deposit date:2017-04-04
Release date:2017-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based nuclear import mechanism of histones H3 and H4 mediated by Kap123.
Elife, 6, 2017
5VF9
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BU of 5vf9 by Molmil
Native human manganese superoxide dismutase
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Azadmanesh, J, Trickel, S.R, Borgstahl, G.E.O.
Deposit date:2017-04-07
Release date:2017-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Substrate-analog binding and electrostatic surfaces of human manganese superoxide dismutase.
J. Struct. Biol., 199, 2017
7LSN
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BU of 7lsn by Molmil
Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A, crystallized in the presence of Ni(II)
Descriptor: HEME C, NICKEL (II) ION, Soluble cytochrome b562
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2021-02-18
Release date:2022-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided metal selectivity in malleable protein interface mediated by single disulfide bond
To Be Published
5I0U
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BU of 5i0u by Molmil
Incompletely interpreted D-cysteine soak of Cysteine Dioxygenase at pH 7.0
Descriptor: Cysteine dioxygenase type 1, D-CYSTEINE, FE (III) ION
Authors:Kean, K.M, Driggers, C.M, Karplus, P.A.
Deposit date:2016-02-04
Release date:2017-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
5I17
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BU of 5i17 by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV3-20
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
Authors:Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
Deposit date:2016-02-05
Release date:2016-06-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural diversity in a human antibody germline library.
Mabs, 8, 2016
7LJW
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BU of 7ljw by Molmil
X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 1
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-01
Release date:2022-02-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
6PCX
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BU of 6pcx by Molmil
Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 6.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ...
Authors:Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M.
Deposit date:2019-06-18
Release date:2019-11-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography.
J.Struct.Biol., 209, 2020
5VKV
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BU of 5vkv by Molmil
Solution NMR structure of the membrane electron transporter CcdA
Descriptor: Cytochrome c-type biogenesis protein CcdA
Authors:Zhou, Y, Bushweller, J.H.
Deposit date:2017-04-24
Release date:2018-01-31
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Solution structure and elevator mechanism of the membrane electron transporter CcdA.
Nat. Struct. Mol. Biol., 25, 2018
5VFF
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BU of 5vff by Molmil
Synaptotagmin 1 C2B domain, lead-bound (low occupancy)
Descriptor: LEAD (II) ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2017-04-07
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:High affinity interactions of Pb2+with synaptotagmin I.
Metallomics, 10, 2018
5I24
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BU of 5i24 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021
Descriptor: (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2016-02-08
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
7LK6
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BU of 7lk6 by Molmil
X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 4
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-01
Release date:2022-02-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
5ICJ
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BU of 5icj by Molmil
Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420
Descriptor: 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one, Probable transcriptional regulatory protein
Authors:Wohlkonig, A, Remaut, H, Tanina, A, Meyer, F, Willand, N, Baulard, A.R, Wintjens, R.
Deposit date:2016-02-23
Release date:2017-04-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.
Science, 355, 2017
5VG2
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BU of 5vg2 by Molmil
Intradiol ring-cleavage Dioxygenase from Tetranychus urticae
Descriptor: CACODYLATE ION, FE (III) ION, Intradiol ring-cleavage Dioxygenase
Authors:Schlachter, C, Klapper, V, Chruszcz, M.
Deposit date:2017-04-10
Release date:2018-04-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch.
Insect Biochem.Mol.Biol., 107, 2019
7LRI
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BU of 7lri by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion
Descriptor: CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ...
Authors:Hoang, A, Ruiz, F.X, Arnold, E.
Deposit date:2021-02-16
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
7LP6
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BU of 7lp6 by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 2 (merged)
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-11
Release date:2022-02-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
5ICT
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BU of 5ict by Molmil
Crystal structure of the Drosophila GluR1A ligand binding domain Y792T mutant complex with glutamate
Descriptor: GLUTAMIC ACID, GLYCEROL, Glutamate receptor 1
Authors:Dharkar, P, Mayer, M.L.
Deposit date:2016-02-23
Release date:2016-12-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Novel Functional Properties of Drosophila CNS Glutamate Receptors.
Neuron, 92, 2016
7LPM
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BU of 7lpm by Molmil
X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, crystal 2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-12
Release date:2022-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
5ID9
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BU of 5id9 by Molmil
Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
Descriptor: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ...
Authors:Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
Deposit date:2016-02-24
Release date:2016-05-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
5I2N
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BU of 5i2n by Molmil
Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-02-09
Release date:2016-03-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016

243531

數據於2025-10-22公開中

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