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5DJV
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BU of 5djv by Molmil
Crystal structure of human FPPS in complex with biaryl compound 8e
Descriptor: 8-(naphthalen-1-yl)-6-(1H-pyrrol-2-yl)quinoline-2-carboxylic acid, Farnesyl pyrophosphate synthase
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
6QDY
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BU of 6qdy by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with its substrate urea
Descriptor: 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Benini, S, Ciurli, S.
Deposit date:2019-01-03
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.416 Å)
Cite:The Structure of the Elusive Urease-Urea Complex Unveils the Mechanism of a Paradigmatic Nickel-Dependent Enzyme.
Angew.Chem.Int.Ed.Engl., 58, 2019
1FK9
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BU of 1fk9 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ)
Descriptor: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ...
Authors:Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K.
Deposit date:2000-08-09
Release date:2000-11-03
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
STRUCTURE FOLD.DES., 8, 2000
2BRA
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BU of 2bra by Molmil
Structure of N-Terminal FAD Binding motif of mouse MICAL
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NEDD9 INTERACTING PROTEIN WITH CALPONIN HOMOLOGY AND LIM DOMAINS
Authors:Nadella, M, Bianchet, M.A, Gabelli, S.B, Amzel, L.M.
Deposit date:2005-05-04
Release date:2005-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and activity of the axon guidance protein MICAL.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
5DJR
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BU of 5djr by Molmil
Crystal structure of human FPPS in complex with biaryl compound 6
Descriptor: 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
1EP4
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BU of 1ep4 by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with S-1153
Descriptor: 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Nichols, C, Bird, L.E, Fujiwara, T, Suginoto, H, Stuart, D.I, Stammers, D.K.
Deposit date:2000-03-27
Release date:2000-09-27
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding.
J.Biol.Chem., 275, 2000
8PBD
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BU of 8pbd by Molmil
RAD51 filament on dsDNA bound by the BRCA2 c-terminus
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Breast cancer type 2 susceptibility protein, CALCIUM ION, ...
Authors:Appleby, R, Pellegrini, L.
Deposit date:2023-06-09
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis for stabilisation of the RAD51 nucleoprotein filament by BRCA2.
Nat Commun, 14, 2023
8PBC
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BU of 8pbc by Molmil
RAD51 filament on ssDNA bound by the BRCA2 c-terminus
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Breast cancer type 2 susceptibility protein, CALCIUM ION, ...
Authors:Appleby, R, Pellegrini, L.
Deposit date:2023-06-09
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structural basis for stabilisation of the RAD51 nucleoprotein filament by BRCA2.
Nat Commun, 14, 2023
2AFF
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BU of 2aff by Molmil
The solution structure of the Ki67FHA/hNIFK(226-269)3P complex
Descriptor: Antigen KI-67, MKI67 FHA domain interacting nucleolar phosphoprotein
Authors:Byeon, I.-J.L, Li, H, Song, H, Gronenborn, A.M, Tsai, M.D.
Deposit date:2005-07-25
Release date:2005-10-25
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Sequential phosphorylation and multisite interactions characterize specific target recognition by the FHA domain of Ki67.
Nat.Struct.Mol.Biol., 12, 2005
3MHX
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BU of 3mhx by Molmil
Crystal Structure of Stenotrophomonas maltophilia FeoA complexed with Zinc: A Unique Procaryotic SH3 Domain Protein Possibly Acting as a Bacterial Ferrous Iron Transport Activating Factor
Descriptor: ACETATE ION, CHLORIDE ION, Putative ferrous iron transport protein A, ...
Authors:Chou, S.-H, Su, Y.-C, Chin, K.-H, Hung, H.-C, Shen, G.-H, Wang, A.H.-J.
Deposit date:2010-04-09
Release date:2010-06-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Stenotrophomonas maltophilia FeoA complexed with zinc: a unique prokaryotic SH3-domain protein that possibly acts as a bacterial ferrous iron-transport activating factor
Acta Crystallogr.,Sect.F, 66, 2010
2N6Y
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BU of 2n6y by Molmil
Solution structure of holo ArCP from yersiniabactin synthetase
Descriptor: HMWP2 nonribosomal peptide synthetase
Authors:Goodrich, A.C, Harden, B.J, Frueh, D.P.
Deposit date:2015-08-31
Release date:2015-09-23
Last modified:2015-10-07
Method:SOLUTION NMR
Cite:Solution Structure of a Nonribosomal Peptide Synthetase Carrier Protein Loaded with Its Substrate Reveals Transient, Well-Defined Contacts.
J.Am.Chem.Soc., 137, 2015
1IG9
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BU of 1ig9 by Molmil
Structure of the Replicating Complex of a Pol Alpha Family DNA Polymerase
Descriptor: 5'-D(*AP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*(DOC))-3', CALCIUM ION, ...
Authors:Franklin, M.C, Wang, J, Steitz, T.A.
Deposit date:2001-04-17
Release date:2001-06-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Replicating Complex of a Pol Alpha Family DNA Polymerase
Cell(Cambridge,Mass.), 105, 2001
3DSZ
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BU of 3dsz by Molmil
Engineered human lipocalin 2 in complex with Y-DTPA
Descriptor: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2
Authors:Eichinger, A, Skerra, A.
Deposit date:2008-07-14
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2
J.Am.Chem.Soc., 131, 2009
1C1C
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BU of 1c1c by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123
Descriptor: 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN)
Authors:Hopkins, A.L, Ren, J, Tanaka, H, Baba, M, Okamato, M, Stuart, D.I, Stammers, D.K.
Deposit date:1999-07-21
Release date:2000-07-21
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
1BYL
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BU of 1byl by Molmil
BLEOMYCIN RESISTANCE PROTEIN FROM STREPTOALLOTEICHUS HINDUSTANUS
Descriptor: PROTEIN (BLEOMYCIN RESISTANCE PROTEIN)
Authors:Dumas, P, Bergdoll, M, Cagnon, C, Masson, J.M.
Deposit date:1998-10-17
Release date:1999-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and site-directed mutagenesis of a bleomycin resistance protein and their significance for drug sequestering.
EMBO J., 13, 1994
1BRR
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BU of 1brr by Molmil
X-RAY STRUCTURE OF THE BACTERIORHODOPSIN TRIMER/LIPID COMPLEX
Descriptor: 3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, GLYCEROL, ...
Authors:Essen, L.-O, Siegert, R, Oesterhelt, D.
Deposit date:1998-07-28
Release date:1998-09-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Lipid patches in membrane protein oligomers: crystal structure of the bacteriorhodopsin-lipid complex
Proc.Natl.Acad.Sci.USA, 95, 1998
4WVO
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BU of 4wvo by Molmil
An engineered PYR1 mandipropamid receptor in complex with mandipropamid and HAB1
Descriptor: (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, MAGNESIUM ION, ...
Authors:Peterson, F.C, Volkman, B.F, Cutler, S.R.
Deposit date:2014-11-06
Release date:2015-02-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Agrochemical control of plant water use using engineered abscisic acid receptors.
Nature, 520, 2015
1EXM
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BU of 1exm by Molmil
CRYSTAL STRUCTURE OF THERMUS THERMOPHILUS ELONGATION FACTOR TU (EF-TU) IN COMPLEX WITH THE GTP ANALOGUE GPPNHP.
Descriptor: ELONGATION FACTOR TU (EF-TU), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Hogg, T, Mesters, J.R, Hilgenfeld, R.
Deposit date:2000-05-03
Release date:2000-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the GTPase Mechanism of EF-Tu from Structural Studies
The Ribosome: Structure, Function, Antibiotics, and Cellular Interactions, 28, 2000
3DTQ
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BU of 3dtq by Molmil
Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form
Descriptor: Neutrophil gelatinase-associated lipocalin
Authors:Eichinger, A, Skerra, A.
Deposit date:2008-07-15
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2.
J.Am.Chem.Soc., 131, 2009
3RE8
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BU of 3re8 by Molmil
Structural and Kinetic Analysis of the Beef liver Catalase interacting with Nitric Oxide
Descriptor: Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Purwar, N, Schmidt, M.
Deposit date:2011-04-03
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction of nitric oxide with catalase: structural and kinetic analysis.
Biochemistry, 50, 2011
1JLB
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BU of 1jlb by Molmil
CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT A-chain, HIV-1 RT B-chain
Authors:Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-10-03
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
3POR
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BU of 3por by Molmil
PORIN CONFORMATION IN THE ABSENCE OF CALCIUM; REFINED STRUCTURE AT 2.5 ANGSTROMS RESOLUTION
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PORIN
Authors:Weiss, M.S, Schulz, G.E.
Deposit date:1992-11-09
Release date:1993-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Porin conformation in the absence of calcium. Refined structure at 2.5 A resolution.
J.Mol.Biol., 231, 1993
2N6Z
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BU of 2n6z by Molmil
Solution structure of the salicylate-loaded ArCP from yersiniabactin synthetase
Descriptor: HMWP2 nonribosomal peptide synthetase
Authors:Goodrich, A.C, Harden, B.J, Frueh, D.P.
Deposit date:2015-08-31
Release date:2015-09-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of a Nonribosomal Peptide Synthetase Carrier Protein Loaded with Its Substrate Reveals Transient, Well-Defined Contacts.
J.Am.Chem.Soc., 137, 2015
2CRC
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BU of 2crc by Molmil
Solution structure of the zf-RanBP domain of the protein HBV associated factor
Descriptor: Ubiquitin conjugating enzyme 7 interacting protein 3, ZINC ION
Authors:Zhang, H.P, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-20
Release date:2005-11-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the zf-RanBP domain of the protein HBV associated factor
To be published
1JLQ
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BU of 1jlq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94
Descriptor: 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE, HIV-1 RT, A-CHAIN, ...
Authors:Ren, J, Stuart, D.I, Stammers, D.K.
Deposit date:2001-07-16
Release date:2001-08-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.
J.Med.Chem., 44, 2001

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