6LKE
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![BU of 6lke by Molmil](/molmil-images/mine/6lke) | in meso full-length rat KMO in complex with an inhibitor identified via DNA-encoded chemical library screening | Descriptor: | 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Mimasu, S, Yamagishi, H, Kiyohara, M, Hupp, D.C, Liu, J, Kakefuda, K, Okuda, T. | Deposit date: | 2019-12-19 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Full-length in meso structure and mechanism of rat kynurenine 3-monooxygenase inhibition. Commun Biol, 4, 2021
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4EN4
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![BU of 4en4 by Molmil](/molmil-images/mine/4en4) | Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K. | Deposit date: | 2012-04-12 | Release date: | 2012-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition. Plos One, 7, 2012
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2PNC
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![BU of 2pnc by Molmil](/molmil-images/mine/2pnc) | Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine | Descriptor: | 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Cendron, L, Holt, A, Smith, D.J, Zanotti, G, Rigo, A, Di Paolo, M.L. | Deposit date: | 2007-04-24 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Multiple binding sites for substrates and modulators of semicarbazide-sensitive amine oxidases: kinetic consequences Mol.Pharmacol., 73, 2008
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7SV2
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![BU of 7sv2 by Molmil](/molmil-images/mine/7sv2) | Human Cytochrome P450 (CYP) 3A5 ternary complex with azamulin | Descriptor: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hsu, M, Johnson, E.F. | Deposit date: | 2021-11-18 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5. J.Biol.Chem., 298, 2022
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1ACB
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![BU of 1acb by Molmil](/molmil-images/mine/1acb) | CRYSTAL AND MOLECULAR STRUCTURE OF THE BOVINE ALPHA-CHYMOTRYPSIN-EGLIN C COMPLEX AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | ALPHA-CHYMOTRYPSIN, Eglin C | Authors: | Bolognesi, M, Frigerio, F, Coda, A, Pugliese, L, Lionetti, C, Menegatti, E, Amiconi, G, Schnebli, H.P, Ascenzi, P. | Deposit date: | 1991-11-08 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin c complex at 2.0 A resolution. J.Mol.Biol., 225, 1992
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7BN7
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![BU of 7bn7 by Molmil](/molmil-images/mine/7bn7) | Crystal structure of ene-reductase OYE2 from S. cerevisiae | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, OYE2 isoform 1 | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | Deposit date: | 2021-01-21 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction Acs Catalysis, 12, 2022
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7BO0
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![BU of 7bo0 by Molmil](/molmil-images/mine/7bo0) | Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with alpha-angelica lactone | Descriptor: | 5-methyl-3~{H}-furan-2-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | Deposit date: | 2021-01-23 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction Acs Catalysis, 12, 2022
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7BN6
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![BU of 7bn6 by Molmil](/molmil-images/mine/7bn6) | Crystal structure of G. sulphuraria ene-reductase GsOYE in complex with b-angelica lactone | Descriptor: | (2~{R})-2-methyl-2~{H}-furan-5-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | Deposit date: | 2021-01-21 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction Acs Catalysis, 12, 2022
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7BLF
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![BU of 7blf by Molmil](/molmil-images/mine/7blf) | Crystal structure of ene-reductase OYE4 from Botryotinia fuckeliana (BfOYE4) | Descriptor: | FLAVIN MONONUCLEOTIDE, FORMIC ACID, Oxidored_FMN domain-containing protein | Authors: | Robescu, M.S, Bergantino, E, Hall, M, Cendron, L. | Deposit date: | 2021-01-18 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction Acs Catalysis, 12, 2022
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7ERO
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![BU of 7ero by Molmil](/molmil-images/mine/7ero) | Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3 | Descriptor: | D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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7ERN
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![BU of 7ern by Molmil](/molmil-images/mine/7ern) | Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3 | Descriptor: | D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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7ERM
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![BU of 7erm by Molmil](/molmil-images/mine/7erm) | Crystal structure of D-allulose 3-epimerase from Agrobacterium sp. SUL3 | Descriptor: | D-tagatose 3-epimerase, MAGNESIUM ION, SULFATE ION | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | Deposit date: | 2021-05-06 | Release date: | 2022-05-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform Adv Sci, 2024
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1B01
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![BU of 1b01 by Molmil](/molmil-images/mine/1b01) | TRANSCRIPTIONAL REPRESSOR COPG/DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*TP*GP*CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*GP*CP*AP*TP*TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*G)-3'), TRANSCRIPTIONAL REPRESSOR COPG | Authors: | Gomis-Rueth, F.X, Sola, M, Acebo, P, Parraga, A, Guasch, A, Eritja, R, Gonzalez, A, Espinosa, M, del Solar, G, Coll, M. | Deposit date: | 1999-11-15 | Release date: | 1999-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The structure of plasmid-encoded transcriptional repressor CopG unliganded and bound to its operator. EMBO J., 17, 1998
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1AOH
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![BU of 1aoh by Molmil](/molmil-images/mine/1aoh) | |
7CR6
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![BU of 7cr6 by Molmil](/molmil-images/mine/7cr6) | Synechocystis Cas1-Cas2/prespacer binary complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2 1, DNA (36-MER) | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2020-08-12 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.72 Å) | Cite: | Mechanisms of spacer acquisition by sequential assembly of the adaptation module in Synechocystis. Nucleic Acids Res., 49, 2021
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7TI3
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![BU of 7ti3 by Molmil](/molmil-images/mine/7ti3) | [T:Hg2+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-01-12 | Release date: | 2023-02-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4.79 Å) | Cite: | Heterobimetallic Base Pair Programming in Designer 3D DNA Crystals. J.Am.Chem.Soc., 145, 2023
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1B00
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![BU of 1b00 by Molmil](/molmil-images/mine/1b00) | PHOB RECEIVER DOMAIN FROM ESCHERICHIA COLI | Descriptor: | PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB | Authors: | Sola, M, Gomis-Ruth, F.X, Serrano, L, Gonzalez, A, Coll, M. | Deposit date: | 1998-11-15 | Release date: | 1999-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Three-dimensional crystal structure of the transcription factor PhoB receiver domain. J.Mol.Biol., 285, 1999
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5HWP
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![BU of 5hwp by Molmil](/molmil-images/mine/5hwp) | MvaS with acetylated Cys115 in complex with coenzyme A | Descriptor: | COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Bock, T, Kasten, J, Blankenfeldt, W. | Deposit date: | 2016-01-29 | Release date: | 2016-05-11 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. Chembiochem, 17, 2016
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1B1C
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![BU of 1b1c by Molmil](/molmil-images/mine/1b1c) | CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93A RESOLUTION | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH-CYTOCHROME P450 REDUCTASE) | Authors: | Zhao, Q, Modi, S, Smith, G, Paine, M, Mcdonagh, P.D, Wolf, C.R, Tew, D, Lian, L.-Y, Roberts, G.C.K, Driessen, H.P.C. | Deposit date: | 1998-11-19 | Release date: | 1999-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of the FMN-binding domain of human cytochrome P450 reductase at 1.93 A resolution. Protein Sci., 8, 1999
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5HWR
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![BU of 5hwr by Molmil](/molmil-images/mine/5hwr) | MvaS in complex with coenzyme A | Descriptor: | COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Bock, T, Kasten, J, Blankenfeldt, W. | Deposit date: | 2016-01-29 | Release date: | 2016-05-11 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. Chembiochem, 17, 2016
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7UXO
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![BU of 7uxo by Molmil](/molmil-images/mine/7uxo) | Structure of PDL1 in complex with FP30790, a Helicon Polypeptide | Descriptor: | AMINO GROUP, FP30790, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UYK
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![BU of 7uyk by Molmil](/molmil-images/mine/7uyk) | Structure of RNF31 in complex with FP06655, a Helicon Polypeptide | Descriptor: | AMINO GROUP, E3 ubiquitin-protein ligase RNF31, Helicon FP06655, ... | Authors: | Agarwal, S, Thomson, T, Wahl, S, Walkup, W, Olsen, T, Verdine, G, McGee, J. | Deposit date: | 2022-05-06 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UWI
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![BU of 7uwi by Molmil](/molmil-images/mine/7uwi) | Structure of beta-catenin in complex with FP01567, a Helicon Polypeptide | Descriptor: | Catenin beta-1, GLYCEROL, Helicon Polypeptide FP01567, ... | Authors: | Brennan, M, Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Verdine, G, McGee, J. | Deposit date: | 2022-05-03 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UWO
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![BU of 7uwo by Molmil](/molmil-images/mine/7uwo) | Structure of beta-catenin in complex with FP05874, a Helicon Polypeptide | Descriptor: | Catenin beta-1, Helicon Polypeptide FP05874, N,N'-(1,4-phenylene)diacetamide | Authors: | Agarwal, S, Thomson, T, Wahl, S, Ramirez, J, Hriniak, B, Verdine, G, McGee, J. | Deposit date: | 2022-05-03 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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7UXQ
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![BU of 7uxq by Molmil](/molmil-images/mine/7uxq) | Structure of PDL1 in complex with FP28135, a Helicon Polypeptide | Descriptor: | 1,2-ETHANEDIOL, FP28135, N,N'-(1,4-phenylene)diacetamide, ... | Authors: | Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J. | Deposit date: | 2022-05-05 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries. Proc.Natl.Acad.Sci.USA, 119, 2022
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