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4BY3
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BU of 4by3 by Molmil
Crystal structure of the dihydroorotase domain of human CAD in apo- form obtained recombinantly from E. coli.
Descriptor: DIHYDROOROTASE, FORMIC ACID, ZINC ION
Authors:Ramon-Maiques, S, Lallous, N, Grande-Garcia, A.
Deposit date:2013-07-17
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure, Functional Characterization, and Evolution of the Dihydroorotase Domain of Human Cad.
Structure, 22, 2014
3GIP
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BU of 3gip by Molmil
Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc, acetate and formate ions.
Descriptor: ACETIC ACID, FORMIC ACID, N-acyl-D-glutamate deacylase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
Deposit date:2009-03-05
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily.
Biochemistry, 48, 2009
3G79
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BU of 3g79 by Molmil
Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1
Descriptor: NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase
Authors:Malashkevich, V.N, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-02-09
Release date:2009-02-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of NDP-N-acetyl-D-galactosaminuronic acid dehydrogenase from Methanosarcina mazei Go1
To be Published
4NF9
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BU of 4nf9 by Molmil
Structure of the Knl1/Nsl1 complex
Descriptor: CHLORIDE ION, Kinetochore-associated protein NSL1 homolog, Protein CASC5
Authors:Petrovic, A, Mosalaganti, S, Keller, J, Mattiuzzo, M, Overlack, K, Wohlgemuth, S, Pasqualato, S, Raunser, S, Musacchio, A.
Deposit date:2013-10-31
Release date:2014-03-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modular Assembly of RWD Domains on the Mis12 Complex Underlies Outer Kinetochore Organization.
Mol.Cell, 53, 2014
4NLC
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BU of 4nlc by Molmil
Crystal structure of the catalytic core of RRP6 from Trypanosoma brucei, mutant C496S
Descriptor: DI(HYDROXYETHYL)ETHER, Ribosomal RNA processing protein 6
Authors:Barbosa, R.L, Guimaraes, B.G.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:RRP6 from Trypanosoma brucei: Crystal Structure of the Catalytic Domain, Association with EAP3 and Activity towards Structured and Non-Structured RNA Substrates
Plos One, 9, 2014
3G5F
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BU of 3g5f by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
4NPQ
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BU of 4npq by Molmil
The resting-state conformation of the GLIC ligand-gated ion channel
Descriptor: Proton-gated ion channel
Authors:Sauguet, L, Shahsavar, A, Poitevin, F, Huon, C, Menny, A, Nemecz, A, Haouz, A, Changeux, J.P, Corringer, P.J, Delarue, M.
Deposit date:2013-11-22
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.35 Å)
Cite:Crystal structures of a pentameric ligand-gated ion channel provide a mechanism for activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
3GIQ
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BU of 3giq by Molmil
Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc and phosphonate inhibitor, a mimic of the reaction tetrahedral intermediate.
Descriptor: N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid, N-acyl-D-glutamate deacylase, ZINC ION
Authors:Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C.
Deposit date:2009-03-05
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily.
Biochemistry, 48, 2009
6HFF
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BU of 6hff by Molmil
Human dihydroorotase mutant F1563Y apo structure
Descriptor: CAD protein, FORMIC ACID, ZINC ION
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51000106 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
6HFQ
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BU of 6hfq by Molmil
Human dihydroorotase mutant F1563T co-crystallized with carbamoyl aspartate at pH 7.5
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
Authors:Ramon-Maiques, S, Grande Garcia, A.
Deposit date:2018-08-21
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1454246 Å)
Cite:Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD.
J. Biol. Chem., 293, 2018
4NMO
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BU of 4nmo by Molmil
CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36(Ac-K-1)(ANSRWPTS[Ac-K]I)
Descriptor: GLYCEROL, Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36(Ac-K-1) peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-11-15
Release date:2014-10-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain.
Plos One, 9, 2014
2VVT
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BU of 2vvt by Molmil
Glutamate Racemase (MurI) from E. faecalis in complex with a 9-Benzyl Purine inhibitor
Descriptor: 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine, D-GLUTAMIC ACID, GLUTAMATE RACEMASE
Authors:Geng, B, Breault, G, Comita-Prevoir, J, Petrichko, R, Eyermann, C, Lundqvist, T, Doig, P, Gorseth, E, Noonan, B.
Deposit date:2008-06-11
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exploring 9-Benzyl Purines as Inhibitors of Glutamate Racemase (Muri) in Gram-Positive Bacteria.
Bioorg.Med.Chem.Lett., 18, 2008
4N7Y
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BU of 4n7y by Molmil
Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-16
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
6CSD
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BU of 6csd by Molmil
V308E mutant of cytochrome P450 2D6 complexed with prinomastat
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
Deposit date:2018-03-20
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
4NEF
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BU of 4nef by Molmil
X-ray structure of human Aquaporin 2
Descriptor: Aquaporin-2, CADMIUM ION, ZINC ION
Authors:Frick, A, Eriksson, U, Mattia, F.D, Oberg, F, Hedfalk, K, Neutze, R, Grip, W.D, Deen, P.M.T, Tornroth-horsefield, S.
Deposit date:2013-10-29
Release date:2014-04-16
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-ray structure of human aquaporin 2 and its implications for nephrogenic diabetes insipidus and trafficking
Proc.Natl.Acad.Sci.USA, 111, 2014
6JXS
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BU of 6jxs by Molmil
Crystal Structure of Indigo reductase (Y151F) from Bacillus smithii type strain DSM 4216
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Yoneda, K, Sakuraba, H, Ohshima, T.
Deposit date:2019-04-24
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and biochemical characterization of an extremely thermostable FMN-dependent NADH-indigo reductase from Bacillus smithii.
Int.J.Biol.Macromol., 164, 2020
4O0J
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BU of 4o0j by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-13
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
3GUG
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BU of 3gug by Molmil
Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
Descriptor: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dhagat, U, El-Kabbani, O.
Deposit date:2009-03-30
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
4C0W
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BU of 4c0w by Molmil
The crystal strucuture of native PpAzoR
Descriptor: DODECAETHYLENE GLYCOL, FLAVIN MONONUCLEOTIDE, FMN-DEPENDENT NADH-AZOREDUCTASE 1
Authors:Goncalves, A.M.D, de Sanctis, D, Bento, I.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of Pseudomonas Putida Azor: The Active Site Revisited.
FEBS J., 280, 2013
6KHJ
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BU of 6khj by Molmil
Supercomplex for electron transfer
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Pan, X, Cao, D, Xie, F, Zhang, X, Li, M.
Deposit date:2019-07-15
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for electron transport mechanism of complex I-like photosynthetic NAD(P)H dehydrogenase.
Nat Commun, 11, 2020
6CSB
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BU of 6csb by Molmil
V308E mutant of cytochrome P450 2D6 complexed with thioridazine
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, ACETATE ION, Cytochrome P450 2D6, ...
Authors:Yang, Y.T, Fujita, K, Wang, P.F, Im, S.C, Pearl, N.M, Meagher, J, Stuckey, J, Waskell, L.
Deposit date:2018-03-20
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding
To Be Published
4TNU
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BU of 4tnu by Molmil
Human brain aspartoacylase mutant Y231C complex with intermediate analog (N-phosphonomethyl-L-aspartate)
Descriptor: Aspartoacylase, N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID, ZINC ION
Authors:Wijayasinghe, Y.S, Pavlovsky, A.G, Viola, R.E.
Deposit date:2014-06-05
Release date:2014-07-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Aspartoacylase catalytic deficiency as the cause of canavan disease: a structural perspective.
Biochemistry, 53, 2014
4M4P
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BU of 4m4p by Molmil
Crystal structure of EPHA4 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-A receptor 4
Authors:Xu, K, Tsvetkova-Robev, D, Xu, Y, Goldgur, Y, Chan, Y.-P, Himanen, J.P, Nikolov, D.B.
Deposit date:2013-08-07
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Insights into Eph receptor tyrosine kinase activation from crystal structures of the EphA4 ectodomain and its complex with ephrin-A5.
Proc.Natl.Acad.Sci.USA, 110, 2013
6KGY
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BU of 6kgy by Molmil
HOCl-induced flavoprotein disulfide reductase RclA from Escherichia coli
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulphide oxidoreductase dimerisation region
Authors:Baek, Y, Ha, N.-C.
Deposit date:2019-07-12
Release date:2020-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and function of the hypochlorous acid-induced flavoprotein RclA fromEscherichia coli.
J.Biol.Chem., 295, 2020
4F0R
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BU of 4f0r by Molmil
Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-methylthioadenosine/S-adenosylhomocysteine deaminase, GLYCEROL, ...
Authors:Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-05-04
Release date:2012-06-06
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
To be Published

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