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6VMY
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BU of 6vmy by Molmil
Structure of the B. subtilis cobalamin riboswitch
Descriptor: Adenosylcobalamin, B. subtilis cobalamin riboswitch, COBALT HEXAMMINE(III), ...
Authors:Chan, C.W, Mondragon, A.
Deposit date:2020-01-28
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Crystal structure of an atypical cobalamin riboswitch reveals RNA structural adaptability as basis for promiscuous ligand binding.
Nucleic Acids Res., 48, 2020
5I3F
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BU of 5i3f by Molmil
Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase
Descriptor: 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 (1.72 Å)
Cite:Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase.
Biochemistry, 55, 2016
5I3U
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BU of 5i3u by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL
Descriptor: DNA (39-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
Authors:Das, K, Arnold, E.
Deposit date:2016-02-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
5I4S
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BU of 5i4s by Molmil
Non-natural DNA pair Z (6-amino-5-nitro-2[1H] pyridone heterocycle)-Guanosine
Descriptor: CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*AP*TP*TP*(D8Z)P*GP*CP*G)-3')
Authors:Ahmad Sobri, A.F, Brady, R.L.
Deposit date:2016-02-12
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Non-natural DNA pair Z (6-amino-5-nitro-2[1H] pyridone heterocycle)-Guanosine
To Be Published
6W5F
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BU of 6w5f by Molmil
Class D beta-lactamase BSU-2 delta mutant
Descriptor: 1,2-ETHANEDIOL, BSU-2delta mutant, DI(HYDROXYETHYL)ETHER, ...
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
6FTY
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BU of 6fty by Molmil
COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5
Descriptor: 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL
Authors:Ostermann, N.
Deposit date:2018-02-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
6VS8
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BU of 6vs8 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with ethyl 2-methyl thiazole-4-carboxylate(fragment 3)
Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6WAI
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BU of 6wai by Molmil
Crystal Structure of SmcR N142D from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.583 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
5I5M
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BU of 5i5m by Molmil
Shewanella denitrificans nitrous oxide reductase, Ca2+-reconstituted form
Descriptor: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, Nitrous-oxide reductase, ...
Authors:Schneider, L.K, Einsle, O.
Deposit date:2016-02-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Role of Calcium in Secondary Structure Stabilization during Maturation of Nitrous Oxide Reductase.
Biochemistry, 55, 2016
6VUH
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BU of 6vuh by Molmil
APO PreQ1 riboswitch aptamer grown in Mn2+
Descriptor: MANGANESE (II) ION, PREQ1 RIBOSWITCH
Authors:Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-02-15
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Analysis of a preQ1-I riboswitch in effector-free and bound states reveals a metabolite-programmed nucleobase-stacking spine that controls gene regulation.
Nucleic Acids Res., 48, 2020
6WAE
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BU of 6wae by Molmil
Crystal Structure of 6X-His tagged SmcR
Descriptor: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
Authors:Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
Deposit date:2020-03-25
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
6WAR
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BU of 6war by Molmil
Crystal structure of the MERS-CoV RBD bound by the neutralizing single-domain antibody MERS VHH-55
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein, nanobody MERS VHH-55
Authors:Wrapp, D, Torres, G.M, McLellan, J.S.
Deposit date:2020-03-25
Release date:2020-04-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
6VHY
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BU of 6vhy by Molmil
NpsA-ThdA, an artificially fused Adenylation-PCP di-domain NRPS from Klebsiella oxytoca
Descriptor: 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, NpsA Adenylation Domain, Non-ribosomal peptide synthetase fusion protein
Authors:Kreitler, D.F, Gulick, A.M.
Deposit date:2020-01-10
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
6VJ9
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BU of 6vj9 by Molmil
Crystal structure of GlpG in complex with peptide boronate inhibitor
Descriptor: ACE-VAL-ARG-MET-B2A, Rhomboid family intramembrane serine protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2020-01-15
Release date:2020-09-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Designed Parasite-Selective Rhomboid Inhibitors Block Invasion and Clear Blood-Stage Malaria.
Cell Chem Biol, 27, 2020
6VKD
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BU of 6vkd by Molmil
Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, Prefusion RSV F (DS-Cav1), ...
Authors:McLellan, J.S.
Deposit date:2020-01-20
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
6VWE
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BU of 6vwe by Molmil
Crystal structure of the D100R multidrug binding transcriptional regulator LmrR in complex with Rhodium Bis-diphosphine Complex
Descriptor: Transcriptional regulator, PadR-like family, bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium
Authors:Zadvornyy, O.A, Laureanti, J.A, Peters, J.W.
Deposit date:2020-02-19
Release date:2020-04-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Positive Charge in the Outer Coordination Sphere of an Artificial Enzyme Increases CO2 Hydrogenation
Organometallics, 2020
5I9S
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BU of 5i9s by Molmil
MicroED structure of proteinase K at 1.75 A resolution
Descriptor: Proteinase K, SULFATE ION
Authors:Hattne, J, Shi, D, de la Cruz, M.J, Reyes, F.E, Gonen, T.
Deposit date:2016-02-20
Release date:2016-06-08
Last modified:2023-08-30
Method:ELECTRON CRYSTALLOGRAPHY (1.75 Å)
Cite:Modeling truncated pixel values of faint reflections in MicroED images.
J.Appl.Crystallogr., 49, 2016
5IEH
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BU of 5ieh by Molmil
Structure of HLA-B*40:02 in complex with the phosphorylated endogenous peptide REF(p)SKEPEL
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Alpizar, A, Marcilla, M, Santiago, C.
Deposit date:2016-02-25
Release date:2016-12-07
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of HLA-B*40:02 in complex with the phosphorilated endogenous peptide REFpSKEPEL
To Be Published
6VXV
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BU of 6vxv by Molmil
Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
Deposit date:2020-02-24
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
6G3V
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BU of 6g3v by Molmil
Crystal structure of human carbonic anhydrase I in complex with the inhibitor famotidine
Descriptor: Carbonic anhydrase 1, GLYCEROL, ZINC ION, ...
Authors:Ferraroni, M, Supuran, C.T, Angeli, A.
Deposit date:2018-03-26
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Famotidine, an Antiulcer Agent, Strongly InhibitsHelicobacter pyloriand Human Carbonic Anhydrases.
ACS Med Chem Lett, 9, 2018
5I0S
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BU of 5i0s by Molmil
Thiosulfate bound Cysteine Dioxygenase at pH 6.2
Descriptor: Cysteine dioxygenase type 1, FE (III) ION, THIOSULFATE
Authors:Kean, K.M, Driggers, C.M, Karplus, P.A.
Deposit date:2016-02-04
Release date:2016-12-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 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
6VS6
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BU of 6vs6 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (fragment 2)
Descriptor: 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VTJ
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BU of 6vtj by Molmil
Structure of a thiolation-reductase di-domain from an archaeal non-ribosomal peptide synthetase
Descriptor: 4'-PHOSPHOPANTETHEINE, Non-ribosomal peptide synthetase
Authors:Deshpande, S, Lott, J.S, Lee, T.V.
Deposit date:2020-02-12
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of a PCP-R didomain from an archaeal nonribosomal peptide synthetase reveals novel interdomain interactions.
J.Biol.Chem., 296, 2021
5I2U
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BU of 5i2u by Molmil
Crystal structure of a novel Halo-Tolerant Cellulase from Soil Metagenome
Descriptor: Cellulase, GLYCEROL, MAGNESIUM ION, ...
Authors:Garg, R, Brahma, V, Srivastava, R, Verma, L, Karthikeyan, S, Sahni, G.
Deposit date:2016-02-09
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biochemical and structural characterization of a novel halotolerant cellulase from soil metagenome
Sci Rep, 6, 2016
6W0C
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BU of 6w0c by Molmil
Open-gate KcsA soaked in 4 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.556 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020

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數據於2024-09-25公開中

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