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4XTL
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BU of 4xtl by Molmil
Crystal structure of the light-driven sodium pump KR2 in the monomeric blue form, pH 4.3
Descriptor: EICOSANE, GLYCEROL, SODIUM ION, ...
Authors:Gushchin, I, Shevchenko, V, Polovinkin, V, Gordeliy, V.
Deposit date:2015-01-23
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a light-driven sodium pump.
Nat.Struct.Mol.Biol., 22, 2015
4XJD
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BU of 4xjd by Molmil
X-ray structure of Lysozyme2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJH
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BU of 4xjh by Molmil
X-ray structure of LysozymeS1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
6P1W
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BU of 6p1w by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming CMPCPP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
3S3Y
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BU of 3s3y by Molmil
Crystal Structure an Tandem Cyanovirin-N Dimer, CVN2L0
Descriptor: SODIUM ION, TANDEM CYANOVIRIN-N DIMER CVN2L0
Authors:Keeffe, J.R, Bjorkman, P.J, Mayo, S.L.
Deposit date:2011-05-18
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed oligomers of cyanovirin-N show enhanced HIV neutralization.
Proc.Natl.Acad.Sci.USA, 108, 2011
6P9L
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BU of 6p9l by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6P0C
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BU of 6p0c by Molmil
Human DNA Ligase 1 Bound to an Adenylated, hydroxyl terminated DNA nick in EDTA
Descriptor: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
Authors:Schellenberg, M.J, Tumbale, P.S, Riccio, A.A, Williams, R.S.
Deposit date:2019-05-16
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6P9K
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BU of 6p9k by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Descriptor: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6LZB
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BU of 6lzb by Molmil
crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with AN-P2-5H-06
Descriptor: 1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide, COBALT (II) ION, GLYCEROL, ...
Authors:sandeep, C.B, Addlagatta, A.
Deposit date:2020-02-18
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies.
Bioorg.Chem., 115, 2021
6LZC
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BU of 6lzc by Molmil
crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with KV-P2-4H-05
Descriptor: COBALT (II) ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Sandeep, C.B, Addlagatta, A.
Deposit date:2020-02-18
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies.
Bioorg.Chem., 115, 2021
2JBA
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BU of 2jba by Molmil
PhoB response regulator receiver domain constitutively-active double mutant D53A and Y102C.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB, SODIUM ION
Authors:Arribas-Bosacoma, R, Ferrer-Orta, C, Kim, S.-K, Blanco, A.G, Pereira, P.J.B, Gomis-Ruth, F.X, Wanner, B.L, Coll, M, Sola, M.
Deposit date:2006-12-05
Release date:2007-01-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The X-Ray Crystal Structures of Two Constitutively Active Mutants of the Escherichia Coli Phob Receiver Domain Give Insights Into Activation.
J.Mol.Biol., 366, 2007
6OZL
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BU of 6ozl by Molmil
Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 2 min soak in Mn2+
Descriptor: DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2019-05-15
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6P1N
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BU of 6p1n by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dAMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
4XCO
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BU of 4xco by Molmil
Signal-sequence induced conformational changes in the signal recognition particle
Descriptor: MAGNESIUM ION, RNA, SODIUM ION, ...
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2014-12-18
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Signal-sequence induced conformational changes in the signal recognition particle.
Nat Commun, 6, 2015
6P3J
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BU of 6p3j by Molmil
Crystal structure of LigU
Descriptor: (4E)-oxalomesaconate Delta-isomerase, CALCIUM ION, CHLORIDE ION, ...
Authors:Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P.
Deposit date:2019-05-23
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin.
Biochemistry, 58, 2019
1U7H
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BU of 1u7h by Molmil
Structure and a Proposed Mechanism for Ornithine Cyclodeaminase from Pseudomonas putida
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E.
Deposit date:2004-08-03
Release date:2004-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the u-Crystallin Family;
Biochemistry, 43, 2004
4XIN
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BU of 4xin by Molmil
X-ray Crystal Structure of an LpqH orthologue from Mycobacterium avium
Descriptor: LpqH orthologue, SODIUM ION
Authors:Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-01-07
Release date:2015-03-04
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray Crystal Structure of an LpqH orthologue from Mycobacterium avium
To Be Published
4XJF
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BU of 4xjf by Molmil
X-ray structure of Lysozyme B1
Descriptor: BROMIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
2HYD
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BU of 2hyd by Molmil
Multidrug ABC transporter SAV1866
Descriptor: ABC transporter homolog, ADENOSINE-5'-DIPHOSPHATE, SODIUM ION
Authors:Dawson, R.J.P, Locher, K.P.
Deposit date:2006-08-05
Release date:2006-09-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a bacterial multidrug ABC transporter.
Nature, 443, 2006
4XKV
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BU of 4xkv by Molmil
Tailspike protein mutant D339N of E. coli bacteriophage HK620
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-01-12
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XL9
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BU of 4xl9 by Molmil
Tailspike protein mutant D339A of E. coli bacteriophage HK620
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-01-13
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XR9
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BU of 4xr9 by Molmil
Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose
Descriptor: CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-01-20
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of CalS8 from Micromonospora echinospora
To Be Published
6P1P
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BU of 6p1p by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and bound incoming dCMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6P1V
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BU of 6p1v by Molmil
Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming dCMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A.
Deposit date:2019-05-20
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
6PL9
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BU of 6pl9 by Molmil
Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL
Descriptor: 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ...
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2019-06-30
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021

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