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5HXZ
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BU of 5hxz by Molmil
Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, CHLORIDE ION, ...
Authors:Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
Deposit date:2016-01-31
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
5HNR
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BU of 5hnr by Molmil
The X-ray structure of octameric human native 5-aminolaevulinic acid dehydratase.
Descriptor: DELTA-AMINO VALERIC ACID, Delta-aminolevulinic acid dehydratase, SULFATE ION, ...
Authors:Mills-Davies, N.L, Thompson, D, Shoolingin-Jordan, P.M, Erskine, P.T, Cooper, J.B.
Deposit date:2016-01-18
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis.
Acta Crystallogr D Struct Biol, 73, 2017
4HAG
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Crystal structure of fc-fragment of human IgG2 antibody (centered crystal form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region
Authors:Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
Deposit date:2012-09-26
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
4H56
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BU of 4h56 by Molmil
Crystal structure of the Clostridium perfringens NetB toxin in the membrane inserted form
Descriptor: Necrotic enteritis toxin B
Authors:Savva, C.G, Fernandes da Costa, S.P, Bokori-Brown, M, Naylor, C, Cole, A.R, Moss, D.S, Titball, R.W, Basak, A.K.
Deposit date:2012-09-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Molecular Architecture and Functional Analysis of NetB, a Pore-forming Toxin from Clostridium perfringens.
J.Biol.Chem., 288, 2013
5HN3
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BU of 5hn3 by Molmil
Crystal structure of beta-decarboxylating dehydrogenase (TK0280) from Thermococcus kodakarensis (apo form)
Descriptor: Homoisocitrate dehydrogenase, IMIDAZOLE, SODIUM ION
Authors:Shimizu, T, Tomita, T, Nishiyama, M.
Deposit date:2016-01-18
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of an ancestral-type beta-decarboxylating dehydrogenase from Thermococcus kodakarensis
Biochem. J., 474, 2017
7T5C
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BU of 7t5c by Molmil
X-ray structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
Authors:Schroder, G.C, Meilleur, F.
Deposit date:2021-12-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
5HN9
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BU of 5hn9 by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1186
Descriptor: 2-{[3-(decyloxy)benzyl]oxy}-5-nitrobenzoic acid, Farnesyl pyrophosphate synthase, putative
Authors:Liu, Y.-L, Zhang, Y, OIdfield, E.
Deposit date:2016-01-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase.
Biochemistry, 55, 2016
7T5E
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BU of 7t5e by Molmil
Neutron structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) low pH vapor exchange
Descriptor: COPPER (II) ION, Lytic polysaccharide monooxygenase, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Schroder, G.C, Meilleur, F.
Deposit date:2021-12-11
Release date:2022-12-28
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
5HP4
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BU of 5hp4 by Molmil
Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions
Descriptor: CALCIUM ION, DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, ...
Authors:Almalki, F.A, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.A.
Deposit date:2016-01-20
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
7SU6
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BU of 7su6 by Molmil
DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase
Authors:Bourne, C.R.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
To Be Published
7SU8
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BU of 7su8 by Molmil
DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ETHYL-PYRROLIDINE-2,5-DIONE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Bourne, C.R.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin
To Be Published
7SU4
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BU of 7su4 by Molmil
Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase, ...
Authors:Bourne, C.R.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dihydroneopterin aldolase (DHNA) Tyr53Phe from Yersinia pestis co-crystallized with 7,8-dihydroneopterin
To Be Published
5HQ2
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BU of 5hq2 by Molmil
Structural model of Set8 histone H4 Lys20 methyltransferase bound to nucleosome core particle
Descriptor: DNA (149-MER), Guanine nucleotide exchange factor SRM1, Histone H2A, ...
Authors:Tavarekere, G, McGinty, R.K, Tan, S.
Deposit date:2016-01-21
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Multivalent Interactions by the Set8 Histone Methyltransferase With Its Nucleosome Substrate.
J.Mol.Biol., 428, 2016
7SU7
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BU of 7su7 by Molmil
Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, ...
Authors:Bourne, C.R.
Deposit date:2021-11-16
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product
To Be Published
5LIK
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BU of 5lik by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK181
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
Deposit date:2016-07-14
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5HRV
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BU of 5hrv by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Descriptor: 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
Authors:Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
Deposit date:2016-01-24
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5LIY
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BU of 5liy by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
Deposit date:2016-07-15
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
5HSJ
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BU of 5hsj by Molmil
Structure of tyrosine decarboxylase complex with PLP at 1.9 Angstroms resolution
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative decarboxylase
Authors:Ni, Y, Zhou, J, Zhu, H, Zhang, K.
Deposit date:2016-01-25
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
5HNJ
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BU of 5hnj by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Descriptor: RNA (5'-R(*GP*UP*AP*(OFC)P*GP*UP*AP*C)-3'), SODIUM ION
Authors:Luo, Z.P, Sheng, J.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
5IOP
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BU of 5iop by Molmil
Cetuximab Fab in complex with 4-bromophenylalanine meditope variant
Descriptor: Cetuximab Fab, heavy chain, light chain, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-03-08
Release date:2016-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5HUD
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BU of 5hud by Molmil
Non-covalent complex of and DAHP synthase and chorismate mutase from Corynebacterium glutamicum with bound transition state analog
Descriptor: 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Chorismate mutase, ...
Authors:Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
Deposit date:2016-01-27
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
5HPA
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BU of 5hpa by Molmil
The crystal of rhodanese domain of YgaP treated with sodium thiosulfate
Descriptor: Inner membrane protein YgaP
Authors:Eichmann, C, Tzitzilonis, C, Kwiatkowski, W, Riek, R.
Deposit date:2016-01-20
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:S-Sulfhydration of the Catalytic Cysteine in the Rhodanese Domain of YgaP is a Complex Dynamical Process.
To Be Published
5HO2
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BU of 5ho2 by Molmil
Crystal structure of AbnA (open conformation), a GH43 extracellular arabinanase from Geobacillus stearothermophilus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ...
Authors:Lansky, S, Shwartstien, O, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2016-01-19
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of AbnA (open conformation), a GH43 extracellular arabinanase from Geobacillus stearothermophilus
To Be Published
5HPR
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BU of 5hpr by Molmil
Insulin with proline analog HyP at position B28 in the T2 state
Descriptor: GLYCEROL, Insulin A-Chain, Insulin B-Chain, ...
Authors:Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
5HPW
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BU of 5hpw by Molmil
Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Singh, R.P, Singh, A, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2016-01-21
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination
To Be Published

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