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5FHZ
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BU of 5fhz by Molmil
Human aldehyde dehydrogenase 1A3 complexed with NAD(+) and retinoic acid
Descriptor: Aldehyde dehydrogenase family 1 member A3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, RETINOIC ACID
Authors:Moretti, A, Rizzi, M, Garavaglia, S.
Deposit date:2015-12-22
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human aldehyde dehydrogenase 1A3 complexed with NAD(+) and retinoic acid.
Sci Rep, 6, 2016
5FRK
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BU of 5frk by Molmil
SeMet crystal structure of Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family
Descriptor: AMYR
Authors:Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S.
Deposit date:2015-12-18
Release date:2017-02-15
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions.
PLoS ONE, 12, 2017
5FWO
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BU of 5fwo by Molmil
Llama nanobody PorM_130
Descriptor: NANOBODY
Authors:Leone, P, Roussel, A.
Deposit date:2016-02-18
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5HH6
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BU of 5hh6 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor
Descriptor: 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-01-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
5HGQ
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BU of 5hgq by Molmil
Loa loa Lysyl-tRNA synthetase in complex with Cladosporin.
Descriptor: GLYCEROL, LYSINE, Lysine--tRNA ligase, ...
Authors:Sharma, A, Sharma, M, Yogavel, M, Sharma, A.
Deposit date:2016-01-08
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.283 Å)
Cite:Protein Translation Enzyme lysyl-tRNA Synthetase Presents a New Target for Drug Development against Causative Agents of Loiasis and Schistosomiasis
PLoS Negl Trop Dis, 10, 2016
3C8N
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BU of 3c8n by Molmil
Crystal structure of apo-FGD1 from Mycobacterium tuberculosis
Descriptor: Probable F420-dependent glucose-6-phosphate dehydrogenase FGD1
Authors:Bashiri, G, Squire, C.J, Moreland, N.J, Baker, E.N.
Deposit date:2008-02-12
Release date:2008-04-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding.
J.Biol.Chem., 283, 2008
5HMF
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BU of 5hmf by Molmil
Crystal structure of triazine hydrolase variant (P214T/Y215H/E241Q)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
5H8K
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BU of 5h8k by Molmil
Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z.
Deposit date:2015-12-23
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Front Plant Sci, 7, 2016
6CT5
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BU of 6ct5 by Molmil
PptT PAP(CoA) 8918 complex
Descriptor: 4'-phosphopantetheinyl transferase, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-03-22
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.759346 Å)
Cite:Opposing reactions in coenzyme A metabolism sensitizeMycobacterium tuberculosisto enzyme inhibition.
Science, 363, 2019
5FDQ
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BU of 5fdq by Molmil
Murine COX-2 S530T mutant
Descriptor: 2-[(2~{R})-2-(hydroxymethyloxy)propoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lucido, M.J, Orlando, B.J, Malkowski, M.G.
Deposit date:2015-12-16
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
5FEW
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BU of 5few by Molmil
HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product)
Descriptor: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF3
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BU of 5ff3 by Molmil
HydE from T. maritima in complex with 4R-TCA
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FRQ
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BU of 5frq by Molmil
Crystal Structure of Helicobacter pylori beta clamp bound to DNA ligase peptide
Descriptor: DNA LIGASE, DNA POLYMERASE III SUBUNIT BETA
Authors:Pandey, P, Gourinath, S.
Deposit date:2015-12-21
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insight Into Beta-Clamp and its Interaction with DNA Ligase in Helicobacter Pylori
Sci.Rep., 6, 2016
5FIT
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BU of 5fit by Molmil
FHIT-SUBSTRATE ANALOG
Descriptor: FRAGILE HISTIDINE TRIAD PROTEIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Lima, C.D, Klein, M.G, Hendrickson, W.A.
Deposit date:1997-09-25
Release date:1998-03-25
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
5FX8
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BU of 5fx8 by Molmil
Complete structure of manganese lipoxygenase of Gaeumannomyces graminis and partial structure of zonadhesin of Komagataella pastoris
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:Chen, Y, Wennman, A, Karkehanadi, S, Engstrom, A, Oliw, E.H.
Deposit date:2016-02-25
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Linoleate 13R-Manganese Lipoxygenase and an Adhesion Protein
J.Lipid Res., 57, 2016
5FB6
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BU of 5fb6 by Molmil
Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering
Descriptor: Insulin Chain A, Insulin Chain B
Authors:Roedig, P, Duman, R, Sanchez-Weatherby, J, Vartiainen, I, Burkhardt, A, Warmer, M, David, C, Wagner, A, Meents, A.
Deposit date:2015-12-14
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering.
J.Appl.Crystallogr., 49, 2016
5FBA
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BU of 5fba by Molmil
S1 nuclease from Aspergillus oryzae in complex with phosphate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Nuclease S1, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FNO
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BU of 5fno by Molmil
Manganese Lipoxygenase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, ...
Authors:Wennman, A, Karkehabadi, S, Oliw, E.H, Chen, Y.
Deposit date:2015-11-16
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:Crystal Structure of Manganese Lipoxygenase of the Rice Blast Fungus Magnaporthe Oryzae
J.Biol.Chem., 291, 2016
5FBD
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BU of 5fbd by Molmil
S1 nuclease from Aspergillus oryzae in complex with phosphate and 2'-deoxycytidine
Descriptor: 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ...
Authors:Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
5FCR
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BU of 5fcr by Molmil
MOUSE COMPLEMENT FACTOR D
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Complement factor D, DIMETHYL SULFOXIDE, ...
Authors:Mac Sweeney, A.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FF0
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BU of 5ff0 by Molmil
HydE from T. maritima in complex with S-adenosyl-L-cysteine and methionine
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, Fe4-Se4 cluster, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FU7
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BU of 5fu7 by Molmil
drosophila nanos NBR peptide bound to the NOT module of the human CCR4-NOT complex
Descriptor: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 2, CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 3, ...
Authors:Raisch, T, Bhandari, D, Sabath, K, Helms, S, Valkov, E, Weichenrieder, O, Izaurralde, E.
Deposit date:2016-01-21
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Distinct Modes of Recruitment of the Ccr4-not Complex by Drosophila and Vertebrate Nanos
Embo J., 35, 2016
5H7W
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BU of 5h7w by Molmil
Crystal structure of 5'-nucleotidase from venom of Naja atra
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ZINC ION, ...
Authors:Chang, C, Lin, C.-C, Wu, W.-G.
Deposit date:2016-11-21
Release date:2017-11-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal strucuture of Taiwan cobra (Naja atra) venom 5'-nucleotidase at 1.9 Angstroms resolution.
To Be Published
5HY4
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BU of 5hy4 by Molmil
Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes
Descriptor: Ring-opening amidohydrolase
Authors:Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.56 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
5HGX
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BU of 5hgx by Molmil
Crystal Structure of Transketolase mutant - H261F from Pichia Stipitis
Descriptor: PENTAETHYLENE GLYCOL, Transketolase
Authors:Li, T.L, Hsu, L.J, Hsu, N.S.
Deposit date:2016-01-09
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural and biochemical interrogation on transketolase from Pichia stipitis for new functionality
Protein Eng. Des. Sel., 2016

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