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3CO2
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BU of 3co2 by Molmil
Mlotik1 ion channel cyclic-nucleotide binding domain mutant
Descriptor: Mlotik1 ion channel protein
Authors:Clayton, G.M, Alteiri, S.L, Thomas, L.R, Morais-Cabral, J.H.
Deposit date:2008-03-27
Release date:2008-08-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Energetic Analysis of Activation by a Cyclic Nucleotide Binding Domain.
J.Mol.Biol., 381, 2008
3CP4
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BU of 3cp4 by Molmil
CRYSTAL STRUCTURE OF THE CYTOCHROME P450-CAM ACTIVE SITE MUTANT THR252ALA
Descriptor: ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1991-06-04
Release date:1993-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the cytochrome P-450CAM active site mutant Thr252Ala.
Biochemistry, 30, 1991
3CRN
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BU of 3crn by Molmil
Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1
Descriptor: GLYCEROL, Response regulator receiver domain protein, CheY-like, ...
Authors:Hiner, R.L, Toro, R, Patskovsky, Y, Freeman, J, Chang, S, Smith, D, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-04-07
Release date:2008-04-22
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of response regulator receiver domain protein (CheY-like) from Methanospirillum hungatei JF-1.
To be Published
3CU5
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BU of 3cu5 by Molmil
Crystal structure of a two component transcriptional regulator AraC from Clostridium phytofermentans ISDg
Descriptor: Two component transcriptional regulator, AraC family
Authors:Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-04-15
Release date:2008-05-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a two component transcriptional regulator AraC from Clostridium phytofermentans ISDg.
To be Published
4FWX
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BU of 4fwx by Molmil
Aquoferric F33Y CuB myoglobin (F33Y L29H F43H sperm whale myoglobin)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gao, Y.-G, Stoner-Ma, D, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y.
Deposit date:2012-07-02
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers.
Angew.Chem.Int.Ed.Engl., 51, 2012
4H8Z
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BU of 4h8z by Molmil
Radiation damage study of lysozyme - 0.21 MGy
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
Authors:Sutton, K.A, Snell, E.H.
Deposit date:2012-09-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1998 Å)
Cite:Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4H9E
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BU of 4h9e by Molmil
Radiation damage study of lysozyme - 0.84 MGy
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
Authors:Sutton, K.A, Snell, E.H.
Deposit date:2012-09-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1998 Å)
Cite:Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4G2G
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BU of 4g2g by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol
Descriptor: 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ...
Authors:Hudson, S.A.
Deposit date:2012-07-12
Release date:2012-09-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
4BAP
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BU of 4bap by Molmil
Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethylcholinetriazoledipicolinate complex at 1.21 A resolution.
Descriptor: ACETATE ION, CHLORIDE ION, EUROPIUM (III) ION, ...
Authors:Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
Deposit date:2012-09-14
Release date:2012-11-14
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.207 Å)
Cite:Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
4G7G
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BU of 4g7g by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [VNI/VNF (VFV)]
Descriptor: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
Deposit date:2012-07-20
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
4G3J
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BU of 4g3j by Molmil
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the VNI derivative (R)-N-(1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide [R-VNI-triazole (VNT)]
Descriptor: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
Authors:Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
Deposit date:2012-07-14
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
3D2E
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BU of 3d2e by Molmil
Crystal structure of a complex of Sse1p and Hsp70, Selenomethionine-labeled crystals
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Heat shock 70 kDa protein 1, ...
Authors:Polier, S, Bracher, A.
Deposit date:2008-05-08
Release date:2008-06-17
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the cooperation of Hsp70 and Hsp110 chaperones in protein folding.
Cell(Cambridge,Mass.), 133, 2008
3D3T
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BU of 3d3t by Molmil
Crystal Structure of HIV-1 CRF01_AE in complex with the substrate p1-p6
Descriptor: HIV-1 protease, P1-P6 SUBSTRATE PEPTIDE
Authors:Bandaranayake, R.M, Prabu-Jeyabalan, M, Kakizawa, J, Sugiura, W, Schiffer, C.A.
Deposit date:2008-05-12
Release date:2008-07-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural analysis of human immunodeficiency virus type 1 CRF01_AE protease in complex with the substrate p1-p6.
J.Virol., 82, 2008
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
Descriptor: Leukocyte elastase inhibitor
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
Descriptor: CHLORIDE ION, Granzyme H, SULFATE ION
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GBI
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BU of 4gbi by Molmil
Crystal structure of aspart insulin at pH 6.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
4GBL
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BU of 4gbl by Molmil
Crystal structure of aspart insulin at pH 8.5
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
Deposit date:2012-07-27
Release date:2013-06-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
4GCB
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BU of 4gcb by Molmil
100K X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL
Descriptor: CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R, Tanley, S.W.M.
Deposit date:2012-07-30
Release date:2013-01-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
4GKC
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BU of 4gkc by Molmil
Crystal structure of Q108K:K40L:T51V:T53C:R58W:T29L:Y19W:Q4A mutant of cellular retinol binding protein II complex with all-trans-retinal at 1.33
Descriptor: RETINAL, Retinol-binding protein 2
Authors:Nossoni, Z, Geiger, J.H.
Deposit date:2012-08-10
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tuning the electronic absorption of protein-embedded all-trans-retinal.
Science, 338, 2012
4KG7
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BU of 4kg7 by Molmil
Structure of MycP3 protease from the type VII (ESX-3) secretion system.
Descriptor: CHLORIDE ION, Peptidase S8 and S53, subtilisin, ...
Authors:Korotkov, K.V, Evans, T.J.
Deposit date:2013-04-28
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Understanding specificity of the mycosin proteases in ESX/type VII secretion by structural and functional analysis.
J.Struct.Biol., 184, 2013
4KPB
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BU of 4kpb by Molmil
Crystal structure of cytochrome P450 BM-3 R47E mutant
Descriptor: Cytochrome P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sadre-Bazzaz, K, Catalano, J, McDermott, A.E, Tong, L.
Deposit date:2013-05-13
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3.
Biochemistry, 52, 2013
4FUC
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BU of 4fuc by Molmil
Crystal Structure of the Urokinase
Descriptor: 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of the Urokinase
to be published
4GN3
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BU of 4gn3 by Molmil
OBody AM1L10 bound to hen egg-white lysozyme
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lysozyme C, ...
Authors:Steemson, J.D, Liddament, M.T.
Deposit date:2012-08-16
Release date:2013-08-21
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tracking Molecular Recognition at the Atomic Level with a New Protein Scaffold Based on the OB-Fold.
Plos One, 9, 2014
3CKZ
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BU of 3ckz by Molmil
N1 Neuraminidase H274Y + Zanamivir
Descriptor: CALCIUM ION, Neuraminidase, ZANAMIVIR
Authors:Colllins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J.
Deposit date:2008-03-18
Release date:2008-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants.
Nature, 453, 2008
3CKP
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BU of 3ckp by Molmil
Crystal structure of BACE-1 in complex with inhibitor
Descriptor: (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide, Beta-secretase 1, CHLORIDE ION
Authors:Min, K.
Deposit date:2008-03-16
Release date:2008-06-03
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
Bioorg.Med.Chem.Lett., 18, 2008

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