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3UU9
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BU of 3uu9 by Molmil
Structure of the free TvNiRb form of Thioalkalivibrio nitratireducens cytochrome c nitrite reductase
Descriptor: CALCIUM ION, Eight-heme nitrite reductase, HEME C, ...
Authors:Trofimov, A.A, Polyakov, K.M, Tikhonova, T.V, Tikhonov, A.V, Dorovatovskii, P.V, Popov, V.O.
Deposit date:2011-11-28
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Covalent modifications of the catalytic tyrosine in octahaem cytochrome c nitrite reductase and their effect on the enzyme activity.
Acta Crystallogr.,Sect.D, 68, 2012
8CDO
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BU of 8cdo by Molmil
PBP AccA-F144YG440Q from A. tumefaciens Bo542 in complex with agrocinopine C-like
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-01-31
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
1EXX
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BU of 1exx by Molmil
ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE INACTIVE S-ENANTIOMER BMS270395.
Descriptor: 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-2
Authors:Klaholz, B.P, Mitschler, A, Belema, M, Zusi, C, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2000-05-05
Release date:2000-06-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma.
Proc.Natl.Acad.Sci.USA, 97, 2000
1E60
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BU of 1e60 by Molmil
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
Authors:Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
Deposit date:2000-08-06
Release date:2000-08-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
2LZK
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BU of 2lzk by Molmil
NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing
Descriptor: (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3')
Authors:Tang, Y, Liu, Z, Ding, S, Lin, C.H, Cai, Y, Rodriguez, F.A, Sayer, J.M, Jerina, D.M, Amin, S, Broyde, S, Geacintov, N.E.
Deposit date:2012-10-04
Release date:2012-11-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing.
Biochemistry, 51, 2012
8CON
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BU of 8con by Molmil
Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-P, ...
Authors:Fermani, S, Fanti, S, Carloni, G, Falini, G, Meloni, M, Zaffagnini, M.
Deposit date:2023-02-28
Release date:2024-02-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
8CDM
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BU of 8cdm by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, Myosin A tail domain interacting protein, ...
Authors:Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2023-01-31
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002
To Be Published
5LBR
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BU of 5lbr by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
Authors:Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S.
Deposit date:2016-06-17
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
2TOH
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BU of 2toh by Molmil
TYROSINE HYDROXYLASE CATALYTIC AND TETRAMERIZATION DOMAINS FROM RAT
Descriptor: 7,8-DIHYDROBIOPTERIN, CHLORIDE ION, FE (III) ION, ...
Authors:Goodwill, K.E, Sabatier, C, Stevens, R.C.
Deposit date:1998-08-26
Release date:1999-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of tyrosine hydroxylase with bound cofactor analogue and iron at 2.3 A resolution: self-hydroxylation of Phe300 and the pterin-binding site.
Biochemistry, 37, 1998
2MIW
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BU of 2miw by Molmil
Nuclear magnetic resonance studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations
Descriptor: (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3')
Authors:Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E.
Deposit date:2013-12-20
Release date:2014-04-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations.
Biochemistry, 53, 2014
8CMQ
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BU of 8cmq by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Tb
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Consensus tetratricopeptide repeat protein, ...
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-02-20
Release date:2024-03-06
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
8CKR
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BU of 8ckr by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with in Hepes with Ca
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Consensus tetratricopeptide repeat protein
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-02-16
Release date:2024-02-28
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
5L45
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BU of 5l45 by Molmil
polyketide ketoreductase SimC7 - apo crystal form 2
Descriptor: GLYCEROL, SimC7, TETRAETHYLENE GLYCOL
Authors:Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
8CNO
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BU of 8cno by Molmil
Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2023-02-23
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8CP8
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BU of 8cp8 by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Lead
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-03-02
Release date:2024-03-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
8CQQ
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BU of 8cqq by Molmil
Crystal structure of an 8-repeat consensus TPR superhelix with Copper
Descriptor: COPPER (II) ION, Consensus tetratricopeptide repeat protein, SULFATE ION
Authors:Liutkus, M, Rojas, A.L, Cortajarena, A.L.
Deposit date:2023-03-07
Release date:2024-03-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
5L9R
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BU of 5l9r by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG)
Descriptor: Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-10
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
6AM3
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BU of 6am3 by Molmil
Regulator of G protein signaling (RGS) 17 in complex with Ca2+
Descriptor: CALCIUM ION, Regulator of G-protein signaling 17, TETRAETHYLENE GLYCOL, ...
Authors:Sieng, M, Lyon, A.M.
Deposit date:2017-08-09
Release date:2019-02-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:High-resolution structure of RGS17 suggests a role for Ca2+in promoting the GTPase-activating protein activity by RZ subfamily members.
J.Biol.Chem., 294, 2019
8G0M
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BU of 8g0m by Molmil
Structure of complex between TV6.6 and CD98hc ECD
Descriptor: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ...
Authors:Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C.
Deposit date:2023-01-31
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
5L8M
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BU of 5l8m by Molmil
Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome
Authors:Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S.
Deposit date:2016-06-08
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
8FEB
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BU of 8feb by Molmil
Crystal Structure of Porphyromonas gingivalis Sialidase (PG_0352)
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, Sialidase, ...
Authors:Clark, N.D, Malkowski, M.G.
Deposit date:2022-12-06
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Functional and structural analyses reveal that a dual domain sialidase protects bacteria from complement killing through desialylation of complement factors.
Plos Pathog., 19, 2023
6EH5
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BU of 6eh5 by Molmil
003 Human T-Cell Receptor specific for HIV GAG epitope SLYNTVATL carried by Human Leukocyte Antigen HLA-A*0201
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Human T Cell Receptor Alpha Chain, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2017-09-12
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
5LK0
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BU of 5lk0 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 100 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, SODIUM ION
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
6O8N
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BU of 6o8n by Molmil
Crystal Structure of C9S tetrasulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: SULFATE ION, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6ARZ
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BU of 6arz by Molmil
Structure of a phage anti-CRISPR protein
Descriptor: BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017

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