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1CRN
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BU of 1crn by Molmil
WATER STRUCTURE OF A HYDROPHOBIC PROTEIN AT ATOMIC RESOLUTION. PENTAGON RINGS OF WATER MOLECULES IN CRYSTALS OF CRAMBIN
Descriptor: CRAMBIN
Authors:Hendrickson, W.A, Teeter, M.M.
Deposit date:1981-04-30
Release date:1981-07-28
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin.
Proc.Natl.Acad.Sci.Usa, 81, 1984
4UV3
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BU of 4uv3 by Molmil
Structure of the curli transport lipoprotein CsgG in its membrane- bound conformation
Descriptor: CURLI PRODUCTION ASSEMBLY/TRANSPORT COMPONENT CSGG
Authors:Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H.
Deposit date:2014-08-04
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg.
Nature, 516, 2014
4US7
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BU of 4us7 by Molmil
Sulfur SAD Phased Structure of a Type IV Pilus Protein from Shewanella oneidensis
Descriptor: PILD PROCESSED PROTEIN, SODIUM ION, SULFATE ION
Authors:Gorgel, M, Boeggild, A, Ulstrup, J.J, Mueller, U, Weiss, M, Nissen, P, Boesen, T.
Deposit date:2014-07-03
Release date:2015-04-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
Bmc Struct.Biol., 15, 2015
1CIK
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BU of 1cik by Molmil
RECOMBINANT SPERM WHALE MYOGLOBIN I99A MUTANT (MET)
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Liong, E.C, Phillips Jr, G.N.
Deposit date:1999-04-01
Release date:1999-04-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin.
J.Biol.Chem., 276, 2001
6K7G
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BU of 6k7g by Molmil
Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1 state class1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ...
Authors:Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2019-06-07
Release date:2019-08-28
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
4V1F
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BU of 4v1f by Molmil
Crystal structure of a mycobacterial ATP synthase rotor ring in complex with Bedaquiline
Descriptor: Bedaquiline, F0F1 ATP SYNTHASE SUBUNIT C, octyl beta-D-glucopyranoside
Authors:Preiss, L, Yildiz, O, Meier, T.
Deposit date:2014-09-26
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Structure of the mycobacterial ATP synthase Fo rotor ring in complex with the anti-TB drug bedaquiline.
Sci Adv, 1, 2015
4V4L
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BU of 4v4l by Molmil
Structure of the Drosophila apoptosome
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK, MAGNESIUM ION
Authors:Yuan, S, Topf, M, Akey, C.W, Ludtke, S.J.
Deposit date:2010-10-04
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Structure of the Drosophila apoptosome at 6.9 angstrom resolution
Structure, 19, 2011
1CMX
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BU of 1cmx by Molmil
STRUCTURAL BASIS FOR THE SPECIFICITY OF UBIQUITIN C-TERMINAL HYDROLASES
Descriptor: PROTEIN (UBIQUITIN YUH1-UBAL)
Authors:Johnston, S.C, Riddle, S.M, Cohen, R.E, Hill, C.P.
Deposit date:1999-05-12
Release date:1999-07-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for the specificity of ubiquitin C-terminal hydrolases.
EMBO J., 18, 1999
6KJB
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BU of 6kjb by Molmil
wild-type apo-form E. coli ATCase holoenzyme with an unusual open conformation of R167
Descriptor: Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION
Authors:Wang, N, Lei, Z, Zheng, J, Jia, Z.C.
Deposit date:2019-07-22
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Conformational Plasticity of the Active Site Entrance inE. coliAspartate Transcarbamoylase and Its Implication in Feedback Regulation.
Int J Mol Sci, 21, 2020
1D1Y
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BU of 1d1y by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,3-PBITU (H4B FREE)
Descriptor: 1,2-ETHANEDIOL, 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, ACETATE ION, ...
Authors:Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-09-21
Release date:2001-07-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
1D39
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BU of 1d39 by Molmil
COVALENT MODIFICATION OF GUANINE BASES IN DOUBLE STRANDED DNA: THE 1.2 ANGSTROMS Z-DNA STRUCTURE OF D(CGCGCG) IN THE PRESENCE OF CUCL2
Descriptor: COPPER (II) ION, DNA (5'-D(*CP*(CU)GP*CP*(CU)GP*CP*(CU)G)-3'), SODIUM ION
Authors:Kagawa, T.F, Geierstanger, B.H, Wang, A.H.-J, Ho, P.S.
Deposit date:1991-05-07
Release date:1992-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Covalent modification of guanine bases in double-stranded DNA. The 1.2-A Z-DNA structure of d(CGCGCG) in the presence of CuCl2.
J.Biol.Chem., 266, 1991
6KJJ
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BU of 6kjj by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-22
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
1CQN
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BU of 1cqn by Molmil
PROTEIN AGGREGATION AND ALZHEIMER'S DISEASE: CRYSTALLOGRAPHIC ANALYSIS OF THE PHENOMENON. ENGINEERED VERSION OF THE RIBOSOMAL PROTEIN S6 USED AS A STABLE SCAFFOLD TO STUDY OLIGOMERIZATION.
Descriptor: RIBOSOMAL PROTEIN S6
Authors:Kristensen, O, Otzen, D.E, Oliveberg, M.
Deposit date:1999-08-08
Release date:2000-09-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Designed protein tetramer zipped together with a hydrophobic Alzheimer homology: a structural clue to amyloid assembly.
Proc.Natl.Acad.Sci.USA, 97, 2000
6KKM
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BU of 6kkm by Molmil
Crystal structure of RbcL-Raf1 complex from Anabaena sp. PCC 7120
Descriptor: All5250 protein, Ribulose bisphosphate carboxylase large chain
Authors:Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z.
Deposit date:2019-07-26
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
1D54
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BU of 1d54 by Molmil
ANTHRACYCLINE BINDING TO DNA: HIGH RESOLUTION STRUCTURE OF D(TGTACA) COMPLEXED WITH 4'-EPIADRIAMYCIN
Descriptor: 4'-EPIDOXORUBICIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3')
Authors:Leonard, G.A, Brown, T, Hunter, W.N.
Deposit date:1992-01-06
Release date:1993-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Anthracycline binding to DNA. High-resolution structure of d(TGTACA) complexed with 4'-epiadriamycin.
Eur.J.Biochem., 204, 1992
6KLY
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BU of 6kly by Molmil
Crystal structure of the type III effector XopAI from Xanthomonas axonopodis pv. citri in space group P43212
Descriptor: Type III effector XopAI
Authors:Liu, J.-H, Wu, J.E, Lin, H, Chiu, S.W, Yang, J.Y.
Deposit date:2019-07-30
Release date:2019-08-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure-Based Exploration of Arginine-Containing Peptide Binding in the ADP-Ribosyltransferase Domain of the Type III Effector XopAI Protein.
Int J Mol Sci, 20, 2019
1D7L
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BU of 1d7l by Molmil
STRUCTURE-FUNCTION CORRELATIONS OF THE REACTION OF REDUCED NICOTINAMIDE ANALOGS WITH P-HYDROXYBENZOATE HYDROXYLASE SUBSTITUTED WITH A SERIES OF 8-SUBSTITUTED FLAVINS
Descriptor: 8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID, ...
Authors:Ortiz-Maldonado, M, Gatti, D, Ballou, D.P, Massey, V.
Deposit date:1999-10-18
Release date:2000-01-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-function correlations of the reaction of reduced nicotinamide analogues with p-hydroxybenzoate hydroxylase substituted with a series of 8-substituted flavins.
Biochemistry, 38, 1999
1CTY
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BU of 1cty by Molmil
MUTATION OF TYROSINE-67 IN CYTOCHROME C SIGNIFICANTLY ALTERS THE LOCAL HEME ENVIRONMENT
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Berghuis, A.M, Brayer, G.D.
Deposit date:1993-02-15
Release date:1993-07-15
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutation of tyrosine-67 to phenylalanine in cytochrome c significantly alters the local heme environment.
J.Mol.Biol., 235, 1994
4W8D
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BU of 4w8d by Molmil
Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589).
Descriptor: 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit
Authors:Jasti, J, Song, X, Griffor, M, Kurumbail, R.G.
Deposit date:2014-08-24
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
4W71
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BU of 4w71 by Molmil
Crystal structure of a prion peptide
Descriptor: PrP peptide
Authors:Yu, L, Lee, S.-J, Yee, V.
Deposit date:2014-08-21
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
6JUB
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BU of 6jub by Molmil
Radiation damage in Aspergillus oryzae pro-tyrosinase oxygen-bound C92A mutant
Descriptor: COPPER (II) ION, PEROXIDE ION, Tyrosinase
Authors:Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2019-04-13
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
6KK1
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BU of 6kk1 by Molmil
Structure of thermal-stabilised(M8) human GLP-1 receptor transmembrane domain
Descriptor: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
Authors:Song, G.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
1CY4
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BU of 1cy4 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'pTpTpTp3'
Descriptor: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
4W8E
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BU of 4w8e by Molmil
Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342)
Descriptor: 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit
Authors:Jasti, J, Song, X, Griffor, M, Kurumbail, R.G.
Deposit date:2014-08-24
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
1CZA
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BU of 1cza by Molmil
MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ...
Authors:Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B.
Deposit date:1999-09-01
Release date:2000-03-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation.
J.Mol.Biol., 296, 2000

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