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1A7C
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BU of 1a7c by Molmil
HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ...
Authors:Xue, Y, Inghardt, T, Sjolin, L, Deinum, J.
Deposit date:1998-03-12
Release date:1999-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide
Structure, 6, 1998
3T9I
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BU of 3t9i by Molmil
Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution
Descriptor: 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D.
Deposit date:2011-08-02
Release date:2011-10-12
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.
Bioorg.Med.Chem.Lett., 21, 2011
2Y1D
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BU of 2y1d by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese.
Descriptor: (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1E
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BU of 2y1e by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese.
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, SULFATE ION
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2Y1C
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BU of 2y1c by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese.
Descriptor: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION
Authors:Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
Deposit date:2010-12-08
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
2K51
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BU of 2k51 by Molmil
NMR Solution Structure of the Neurotrypsin Kringle Domain
Descriptor: Neurotrypsin
Authors:Ozhogina, O.A.
Deposit date:2008-06-23
Release date:2008-12-09
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Neurotrypsin Kringle Domain
Biochemistry, 47, 2008
2K4R
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BU of 2k4r by Molmil
NMR solution structure of the neurotrypsin kringle domain
Descriptor: Neurotrypsin
Authors:Ozhogina, O.A.
Deposit date:2008-06-16
Release date:2008-12-09
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:NMR Solution Structure of the Neurotrypsin Kringle Domain
Biochemistry, 47, 2008
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
1CQM
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BU of 1cqm 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 (1.65 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
5OLK
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BU of 5olk by Molmil
Crystal structure of the ATP-cone-containing NrdB from Leeuwenhoekiella blandensis
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
Authors:Hasan, M, Grinberg, A.R, Sjoberg, B.M, Logan, D.T.
Deposit date:2017-07-28
Release date:2018-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Novel ATP-cone-driven allosteric regulation of ribonucleotide reductase via the radical-generating subunit.
Elife, 7, 2018
4EC2
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BU of 4ec2 by Molmil
Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, complexed with ferrous
Descriptor: FE (II) ION, Frataxin homolog, mitochondrial
Authors:Soderberg, C.A.G, Rajan, S, Gakh, O, Isaya, G, Al-Karadaghi, S.
Deposit date:2012-03-26
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:The molecular basis of iron-induced oligomerization of frataxin and the role of the ferroxidation reaction in oligomerization.
J.Biol.Chem., 288, 2013
2GVM
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BU of 2gvm by Molmil
Crystal structure of hydrophobin HFBI with detergent
Descriptor: Hydrophobin-1, LAURYL DIMETHYLAMINE-N-OXIDE, ZINC ION
Authors:Hakanpaa, J.M, Rouvinen, J.
Deposit date:2006-05-03
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Two crystal structures of Trichoderma reesei hydrophobin HFBI--The structure of a protein amphiphile with and without detergent interaction.
Protein Sci., 15, 2006
2FQL
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BU of 2fql by Molmil
Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae
Descriptor: Frataxin homolog, mitochondrial
Authors:Al-Karadaghi, S, Karlberg, T.
Deposit date:2006-01-18
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:The structures of frataxin oligomers reveal the mechanism for the delivery and detoxification of iron.
Structure, 14, 2006
1IKL
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BU of 1ikl by Molmil
NMR study of monomeric human interleukin-8 (minimized average structure)
Descriptor: HUMAN INTERLEUKIN-8 (MONOMERIC)
Authors:Rajarathnam, K, Clark-Lewis, I, Sykes, B.D.
Deposit date:1995-08-03
Release date:1995-10-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:1H NMR solution structure of an active monomeric interleukin-8.
Biochemistry, 34, 1995
1KOS
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BU of 1kos by Molmil
SOLUTION NMR STRUCTURE OF AN ANALOG OF THE YEAST TRNA PHE T STEM LOOP CONTAINING RIBOTHYMIDINE AT ITS NATURALLY OCCURRING POSITION
Descriptor: 5'-R(*CP*UP*GP*UP*GP*(5MU)P*UP*CP*GP*AP*UP*(CH)P*CP*AP*CP*AP*G)- 3'
Authors:Koshlap, K.M, Guenther, R, Sochacka, E, Malkiewicz, A, Agris, P.F.
Deposit date:1999-05-03
Release date:1999-10-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A distinctive RNA fold: the solution structure of an analogue of the yeast tRNAPhe T Psi C domain.
Biochemistry, 38, 1999
2KJ1
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BU of 2kj1 by Molmil
cytoplasmic domain structure of BM2 proton channel from influenza B virus
Descriptor: BM2 protein
Authors:Wang, J, Pielak, R, McClintock, M, Chou, J.
Deposit date:2009-05-13
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and functional analysis of the influenza B proton channel.
Nat.Struct.Mol.Biol., 16, 2009
2KIX
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BU of 2kix by Molmil
Channel domain of BM2 protein from influenza B virus
Descriptor: BM2 protein
Authors:Wang, J, Pielak, R, McClintock, M, Chou, J.
Deposit date:2009-05-12
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and functional analysis of the influenza B proton channel.
Nat.Struct.Mol.Biol., 16, 2009
1AZF
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BU of 1azf by Molmil
CHICKEN EGG WHITE LYSOZYME CRYSTAL GROWN IN BROMIDE SOLUTION
Descriptor: BROMIDE ION, LYSOZYME
Authors:Lim, K, Nadarajah, A, Forsythe, E.L, Pusey, M.L.
Deposit date:1997-11-17
Release date:1998-02-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Locations of bromide ions in tetragonal lysozyme crystals.
Acta Crystallogr.,Sect.D, 54, 1998
1IKM
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BU of 1ikm by Molmil
NMR study of monomeric human interleukin-8 (30 structures)
Descriptor: HUMAN INTERLEUKIN-8 (MONOMERIC)
Authors:Rajarathnam, K, Clark-Lewis, I, Sykes, B.D.
Deposit date:1995-08-03
Release date:1995-10-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:1H NMR solution structure of an active monomeric interleukin-8.
Biochemistry, 34, 1995
2SDF
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BU of 2sdf by Molmil
SOLUTION NMR STRUCTURE OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1), 30 STRUCTURES
Descriptor: STROMAL CELL-DERIVED FACTOR-1
Authors:Crump, M.P, Rajarathnam, K, Clark-Lewis, I, Sykes, B.D.
Deposit date:1998-03-07
Release date:1998-06-17
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure and basis for functional activity of stromal cell-derived factor-1; dissociation of CXCR4 activation from binding and inhibition of HIV-1.
EMBO J., 16, 1997
1AQK
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BU of 1aqk by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID
Descriptor: FAB B7-15A2
Authors:Faber, C, Fan, Z, Edmundson, A.B.
Deposit date:1997-07-30
Release date:1998-02-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Three-dimensional structure of a human Fab with high affinity for tetanus toxoid.
Immunotechnology, 3, 1998
2HCC
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BU of 2hcc by Molmil
SOLUTION STRUCTURE OF THE HUMAN CHEMOKINE HCC-2, NMR, 30 STRUCTURES
Descriptor: HUMAN CHEMOKINE HCC-2
Authors:Sticht, H, Escher, S.E, Schweimer, K, Forssmann, W.G, Roesch, P, Adermann, K.
Deposit date:1998-07-03
Release date:1999-07-13
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of the human CC chemokine 2: A monomeric representative of the CC chemokine subtype.
Biochemistry, 38, 1999
2HX4
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BU of 2hx4 by Molmil
Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide
Descriptor: (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2006-08-02
Release date:2007-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
2HX2
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BU of 2hx2 by Molmil
Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Descriptor: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2006-08-02
Release date:2007-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
2HX3
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BU of 2hx3 by Molmil
Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Descriptor: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2006-08-02
Release date:2007-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007

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