2IYN
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![BU of 2iyn by Molmil](/molmil-images/mine/2iyn) | The co-factor-induced pre-active conformation in PhoB | Descriptor: | MAGNESIUM ION, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB | Authors: | Sola, M, Drew, D.L, Blanco, A.G, Gomis-Ruth, F.X, Coll, M. | Deposit date: | 2006-07-19 | Release date: | 2006-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The Cofactor-Induced Pre-Active Conformation in Phob. Acta Crystallogr.,Sect.D, 62, 2006
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5KCT
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![BU of 5kct by Molmil](/molmil-images/mine/5kct) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative | Descriptor: | (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-07 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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6W9S
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![BU of 6w9s by Molmil](/molmil-images/mine/6w9s) | |
6W3F
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![BU of 6w3f by Molmil](/molmil-images/mine/6w3f) | |
4IP1
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![BU of 4ip1 by Molmil](/molmil-images/mine/4ip1) | |
6W40
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![BU of 6w40 by Molmil](/molmil-images/mine/6w40) | |
7AWV
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![BU of 7awv by Molmil](/molmil-images/mine/7awv) | Azoreductase (AzoRo) from Rhodococcus opacus 1CP | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase, ... | Authors: | Bento, I, Ngo, A, Qi, J, Juric, C, Tischler, D. | Deposit date: | 2020-11-09 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of molecular basis that underlie enzymatic specificity of AzoRo from Rhodococcus opacus 1CP: A potential NADH:quinone oxidoreductase. Arch.Biochem.Biophys., 717, 2022
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2IOD
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![BU of 2iod by Molmil](/molmil-images/mine/2iod) | Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Dihydroflavonol 4-reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Petit, P, Langlois d'Estaintot, B, Granier, T, Gallois, B. | Deposit date: | 2006-10-10 | Release date: | 2007-09-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Binding of two substrate analogue molecules to dihydroflavonol-4-reductase alters the functional geometry of the catalytic site To be Published
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1JL7
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![BU of 1jl7 by Molmil](/molmil-images/mine/1jl7) | Crystal Structure Of CN-Ligated Component III Glycera Dibranchiata Monomeric Hemoglobin | Descriptor: | CYANIDE ION, Monomer hemoglobin component III, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Park, H.J, Yang, C, Treff, N, Satterlee, J.D, Kang, C. | Deposit date: | 2001-07-16 | Release date: | 2002-07-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structures of Unligated and CN-Ligated Glycera dibranchiata Monomer Ferric Hemoglobin Components III and IV Proteins, 49, 2002
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4IP6
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1TH0
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![BU of 1th0 by Molmil](/molmil-images/mine/1th0) | Structure of human Senp2 | Descriptor: | Sentrin-specific protease 2 | Authors: | Reverter, D, Lima, C.D. | Deposit date: | 2004-05-31 | Release date: | 2004-09-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A basis for SUMO protease specificity provided by analysis of human Senp2 and a
Senp2-SUMO complex Structure, 12, 2004
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3ZN3
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![BU of 3zn3 by Molmil](/molmil-images/mine/3zn3) | N-terminal domain of S. pombe Cdc23 APC subunit | Descriptor: | ANAPHASE-PROMOTING COMPLEX SUBUNIT 8, MERCURY (II) ION | Authors: | Zhang, Z, Yang, J, Conin, N, Kulkarni, K, Barford, D. | Deposit date: | 2013-02-13 | Release date: | 2013-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Four Canonical Tpr Subunits of Human Apc/C Form Related Homo-Dimeric Structures and Stack in Parallel to Form a Tpr Suprahelix J.Mol.Biol., 425, 2013
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4INR
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![BU of 4inr by Molmil](/molmil-images/mine/4inr) | Yeast 20S proteasome in complex with the vinyl sulfone LU102 | Descriptor: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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4IP9
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![BU of 4ip9 by Molmil](/molmil-images/mine/4ip9) | Structure of native human serum amyloid A1 | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Serum amyloid A-1 protein | Authors: | Lu, J, Sun, P.D. | Deposit date: | 2013-01-09 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis. Proc.Natl.Acad.Sci.USA, 111, 2014
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4INT
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![BU of 4int by Molmil](/molmil-images/mine/4int) | Yeast 20S proteasome in complex with the vinyl sulfone LU122 | Descriptor: | HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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7TFP
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![BU of 7tfp by Molmil](/molmil-images/mine/7tfp) | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. | Descriptor: | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | Deposit date: | 2022-01-06 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J.Am.Chem.Soc., 144, 2022
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3ZI1
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![BU of 3zi1 by Molmil](/molmil-images/mine/3zi1) | Crystal structure of human glyoxalase domain-containing protein 4 (GLOD4) | Descriptor: | 1,2-ETHANEDIOL, GLYOXALASE DOMAIN-CONTAINING PROTEIN 4 | Authors: | Oberholzer, A, Kiyani, W, Shrestha, L, Vollmar, M, Krojer, T, Froese, D.S, Williams, E, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2012-12-30 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Human Glyoxalase Domain- Containing Protein 4 (Glod4) To be Published
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7TEV
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![BU of 7tev by Molmil](/molmil-images/mine/7tev) | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate | Descriptor: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | Deposit date: | 2022-01-05 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase. J.Am.Chem.Soc., 144, 2022
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4INU
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![BU of 4inu by Molmil](/molmil-images/mine/4inu) | Yeast 20S proteasome in complex with the vinyl sulfone LU112 | Descriptor: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | Authors: | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | Deposit date: | 2013-01-06 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites. J.Med.Chem., 56, 2013
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4IFU
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![BU of 4ifu by Molmil](/molmil-images/mine/4ifu) | Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, apo form | Descriptor: | FAD:protein FMN transferase, MAGNESIUM ION | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2012-12-15 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8334 Å) | Cite: | The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis. J.Biol.Chem., 288, 2013
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4R4U
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5L82
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5KIT
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3ZN2
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![BU of 3zn2 by Molmil](/molmil-images/mine/3zn2) | protein engineering of halohydrin dehalogenase | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, HALOHYDRIN DEHALOGENASE, ... | Authors: | Schallmey, M, Jekel, P, Tang, L, Majeric-Elenkov, M, Hoeffken, H.W, Hauer, B, Janssen, D.B. | Deposit date: | 2013-02-13 | Release date: | 2014-03-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Single Point Mutation Enhances Hydroxynitrile Synthesis by Halohydrin Dehalogenase. Enzyme.Microb.Technol., 70, 2015
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6W2G
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![BU of 6w2g by Molmil](/molmil-images/mine/6w2g) | Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A in Monoclinic Unit Cell | Descriptor: | 1,2-ETHANEDIOL, UV excision repair protein RAD23 homolog A | Authors: | Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C. | Deposit date: | 2020-03-05 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST. J.Am.Chem.Soc., 145, 2023
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