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4DH6
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BU of 4dh6 by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide
Descriptor: (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2012-01-27
Release date:2012-04-18
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
4DDD
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BU of 4ddd by Molmil
Crystal structure of an immunogenic protein from ehrlichia chaffeensis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-01-18
Release date:2012-05-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an immunogenic protein from ehrlichia chaffeensis
To be Published
1F05
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BU of 1f05 by Molmil
CRYSTAL STRUCTURE OF HUMAN TRANSALDOLASE
Descriptor: TRANSALDOLASE
Authors:Schneider, G, Thorell, S.
Deposit date:2000-05-14
Release date:2000-07-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The three-dimensional structure of human transaldolase.
FEBS Lett., 475, 2000
4DMF
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BU of 4dmf by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the H177A mutation
Descriptor: Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-02-07
Release date:2013-08-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Inhibiting an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa Protects CFTR.
Angew.Chem.Int.Ed.Engl., 54, 2015
4DWQ
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BU of 4dwq by Molmil
RNA ligase RtcB-GMP/Mn(2+) complex
Descriptor: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MALONATE ION, ...
Authors:Okada, C, Xia, S, Englert, M, Yao, M, Soll, D, Wang, J.
Deposit date:2012-02-26
Release date:2012-09-05
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and mechanistic insights into guanylylation of RNA-splicing ligase RtcB joining RNA between 3'-terminal phosphate and 5'-OH.
Proc.Natl.Acad.Sci.USA, 109, 2012
1D7O
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BU of 1d7o by Molmil
CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN
Descriptor: ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W.
Deposit date:1999-10-19
Release date:1999-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of triclosan bound to enoyl reductase.
J.Mol.Biol., 294, 1999
4DRX
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BU of 4drx by Molmil
GTP-Tubulin in complex with a DARPIN
Descriptor: Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Pecqueur, L, Gigant, B, Knossow, M.
Deposit date:2012-02-17
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A designed ankyrin repeat protein selected to bind to tubulin caps the microtubule plus end.
Proc.Natl.Acad.Sci.USA, 109, 2012
1HD7
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BU of 1hd7 by Molmil
A Second Divalent Metal Ion in the Active Site of a New Crystal Form of Human Apurinic/Apyridinimic Endonuclease, Ape1, and its Implications for the Catalytic Mechanism
Descriptor: DNA-(APURINIC OR APYRIMIDINIC SITE) LYASE, LEAD (II) ION
Authors:Beernink, P.T, Segelke, B.W, Rupp, B.
Deposit date:2000-11-09
Release date:2001-02-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Two Divalent Metal Ions in the Active Site of a New Crystal Form of Human Apurinic/Apyrimidinic Endonuclease, Ape1: Implications for the Catalytic Mechanism
J.Mol.Biol., 307, 2001
4DTG
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BU of 4dtg by Molmil
Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ...
Authors:Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model.
Blood, 119, 2012
1CLH
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BU of 1clh by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE OF ESCHERICHIA COLI PERIPLASMIC CYCLOPHILIN
Descriptor: CYCLOPHILIN
Authors:Clubb, R.T, Wagner, G.
Deposit date:1993-12-20
Release date:1994-05-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of Escherichia coli periplasmic cyclophilin
Biochemistry, 33, 1994
1CPI
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BU of 1cpi by Molmil
REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES. DESIGN OF HYDROLYTICALLY STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE
Descriptor: CYCLIC PEPTIDE INHIBITOR, HIV-1 PROTEASE, SULFATE ION
Authors:Martin, J.L.
Deposit date:1995-10-16
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:REGIOSELECTIVE STRUCTURAL AND FUNCTIONAL MIMICRY OF PEPTIDES - DESIGN OF HYDROLYTICALLY-STABLE CYCLIC PEPTIDOMIMETIC INHIBITORS OF HIV-1 PROTEASE.
J.Am.Chem.Soc., 117, 1995
1DAN
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BU of 1dan by Molmil
Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor
Descriptor: BLOOD COAGULATION FACTOR VIIA heavy chain, BLOOD COAGULATION FACTOR VIIA light chain, CACODYLATE ION, ...
Authors:Banner, D.W.
Deposit date:1997-03-05
Release date:1997-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of the complex of blood coagulation factor VIIa with soluble tissue factor.
Nature, 380, 1996
1DL7
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BU of 1dl7 by Molmil
THE STRUCTURAL BASIS OF REPERTOIRE SHIFT IN AN IMMUNE RESPONSE TO PHOSPHOCHOLINE
Descriptor: P-NITROPHENYL-PHOSPHOCHOLINE, PROTEIN (ANTIBODY M3C65 (HEAVY CHAIN)), PROTEIN (ANTIBODY M3C65 (LIGHT CHAIN))
Authors:Schumacher, M, Brown, M.
Deposit date:1999-12-08
Release date:2000-12-13
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structural basis of repertoire shift in an immune response to phosphocholine.
J.Exp.Med., 191, 2000
1DO0
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BU of 1do0 by Molmil
ORTHORHOMBIC CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK LOCUS U), ...
Authors:Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
Deposit date:1999-12-18
Release date:2000-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
1GNV
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BU of 1gnv by Molmil
CALCIUM INDEPENDENT SUBTILISIN BPN' MUTANT
Descriptor: SUBTILISIN BPN'
Authors:Almog, O, Gilliland, G.L.
Deposit date:2001-10-10
Release date:2002-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Thermostability. Analysis of Stabilizing Mutations in Subtilisin Bpn'.
J.Biol.Chem., 277, 2002
1DDJ
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BU of 1ddj by Molmil
CRYSTAL STRUCTURE OF HUMAN PLASMINOGEN CATALYTIC DOMAIN
Descriptor: PLASMINOGEN
Authors:Wang, X, Terzyan, S, Tang, J, Loy, J, Lin, X, Zhang, X.
Deposit date:1999-11-10
Release date:2000-02-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human plasminogen catalytic domain undergoes an unusual conformational change upon activation.
J.Mol.Biol., 295, 2000
1DO2
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BU of 1do2 by Molmil
TRIGONAL CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (HEAT SHOCK LOCUS U)
Authors:Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
Deposit date:1999-12-18
Release date:2000-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
1H48
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BU of 1h48 by Molmil
The structure of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CMP and product
Descriptor: 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N.
Deposit date:2003-02-24
Release date:2004-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods
Acta Crystallogr.,Sect.D, 61, 2005
1DD7
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BU of 1dd7 by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (N-[(1,3-BENZODIOXOL-5-YL)METHYL]-1-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-4-(METHOXYCARBONYL)-PIPERAZINE-2-ACETAMIDE COMPLEX
Descriptor: INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:1999-11-08
Release date:2000-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric inhibitors of inducible nitric oxide synthase dimerization discovered via combinatorial chemistry.
Proc.Natl.Acad.Sci.USA, 97, 2000
1HEZ
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BU of 1hez by Molmil
Structure of P. magnus protein L bound to a human IgM Fab.
Descriptor: HEAVY CHAIN OF IG, IMIDAZOLE, KAPPA LIGHT CHAIN OF IG, ...
Authors:Graille, M, Stura, E.A, Housden, N.G, Bottomley, S.P, Taussig, M.J, Sutton, B.J, Gore, M.G, Charbonnier, J.B.
Deposit date:2000-11-27
Release date:2001-08-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Complex between Peptostreptococcus Magnus Protein L and a Human Antibody Reveals Structural Convergence in the Interaction Modes of Fab Binding Modes
Structure, 9, 2001
1H47
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BU of 1h47 by Molmil
Structures of MECP synthase in complex with (i) CMP and (ii) CMP and product
Descriptor: 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ...
Authors:Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N.
Deposit date:2003-02-24
Release date:2004-10-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods
Acta Crystallogr.,Sect.D, 61, 2005
1H54
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BU of 1h54 by Molmil
Maltose phosphorylase from Lactobacillus brevis
Descriptor: MALTOSE PHOSPHORYLASE, PHOSPHATE ION, POTASSIUM ION
Authors:Van Tilbeurgh, H, Egloff, M.-P.
Deposit date:2001-05-18
Release date:2001-09-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Maltose Phosphorylase from Lactobacillus Brevis: Unexpected Evolutionary Relationship with Glucoamylases.
Structure, 9, 2001
3SV3
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BU of 3sv3 by Molmil
Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in a closed ternary complex with the artificial base pair dNaM-d5SICSTP
Descriptor: (5'-D(*AP*AP*AP*(BMN)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), 2-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-6-methylisoquinoline-1(2H)-thione, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2011-07-12
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat.Chem.Biol., 8, 2012
4OMT
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BU of 4omt by Molmil
Crystal structure of human muscle phosphofructokinase (dissociated homodimer)
Descriptor: 6-phosphofructokinase, muscle type
Authors:Kloos, M, Straeter, N.
Deposit date:2014-01-27
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6 Å)
Cite:Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4OQ3
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BU of 4oq3 by Molmil
Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction
Descriptor: 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)-1H-imidazole-4-carboxylic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2014-02-07
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction.
Bioorg.Med.Chem.Lett., 24, 2014

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