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6GA7
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BU of 6ga7 by Molmil
BACTERIORHODOPSIN, 240FS STATE, REAL-SPACE REFINED AGAINST 10% EXTRAPOLATED MAP
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAI
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BU of 6gai by Molmil
BACTERIORHODOPSIN, 740 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
3BTA
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BU of 3bta by Molmil
CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A
Descriptor: PROTEIN (BOTULINUM NEUROTOXIN TYPE A), ZINC ION
Authors:Stevens, R.C, Lacy, D.B.
Deposit date:1998-08-12
Release date:1999-10-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of botulinum neurotoxin type A and implications for toxicity.
Nat.Struct.Biol., 5, 1998
3BU4
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BU of 3bu4 by Molmil
RIBONUCLEASE T1 COMPLEX WITH 2'GMP
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
Authors:Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
Deposit date:1998-09-14
Release date:1998-09-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
2F2G
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BU of 2f2g by Molmil
X-Ray Structure of Gene Product From Arabidopsis Thaliana AT3G16990
Descriptor: 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, SEED MATURATION PROTEIN PM36 HOMOLOG, SULFATE ION
Authors:Wesenberg, G.W, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-11-16
Release date:2005-12-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of gene locus At3g16990 from Arabidopsis thaliana
Proteins, 57, 2004
3BRA
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BU of 3bra by Molmil
BACE-1 complexed with compound 1
Descriptor: 4-(2-aminoethyl)phenol, Beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2007-12-21
Release date:2008-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
3BUF
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BU of 3buf by Molmil
BACE-1 complexed with compound 2
Descriptor: 4-[(2R)-2-aminopropyl]phenol, Beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2008-01-02
Release date:2008-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
5BUJ
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BU of 5buj by Molmil
ERK2 complexed with a N-H tetrahydroazaindazole
Descriptor: 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
Deposit date:2015-06-03
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5AMN
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BU of 5amn by Molmil
The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors
Descriptor: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J.
Deposit date:2015-03-11
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity.
Eur J Med Chem, 112, 2016
6GA6
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BU of 6ga6 by Molmil
Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAG
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BU of 6gag by Molmil
BACTERIORHODOPSIN, 630 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
3SH7
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BU of 3sh7 by Molmil
Crystal structure of fluorophore-labeled beta-lactamase PenP
Descriptor: 1-[6-(dimethylamino)naphthalen-2-yl]ethanone, Beta-lactamase
Authors:Wong, W.-T, Zhao, Y.-X, Leung, Y.-C.
Deposit date:2011-06-16
Release date:2011-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Increased structural flexibility at the active site of a fluorophore-conjugated beta-lactamase distinctively impacts its binding toward diverse cephalosporin antibiotics
J.Biol.Chem., 286, 2011
3SJQ
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BU of 3sjq by Molmil
Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin
Descriptor: 1-phenylurea, CALCIUM ION, Calmodulin, ...
Authors:Zhang, M, Pascal, J.M, Zhang, J.-F.
Deposit date:2011-06-21
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for calmodulin as a dynamic calcium sensor.
Structure, 20, 2012
2PUQ
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BU of 2puq by Molmil
Crystal structure of active site inhibited coagulation factor VIIA in complex with soluble tissue factor
Descriptor: CALCIUM ION, Coagulation factor VII, TRP-TYR-THR-ARG CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Bjelke, J.R, Rasmussen, H.B.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Engineering the substrate and inhibitor specificities of human coagulation Factor VIIa
Biochem.J., 405, 2007
5DU3
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BU of 5du3 by Molmil
Active form of human C1-inhibitor
Descriptor: Plasma protease C1 inhibitor
Authors:Pannu, N.S, Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A.
Deposit date:2015-09-18
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
414D
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BU of 414d by Molmil
5'-D(*GP*GP*GP*GP*CP*GP*CP*CP*CP*C)-3'
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*CP*CP*CP*C)-3')
Authors:Savitha, G, Viswamitra, M.A.
Deposit date:1998-07-13
Release date:1999-06-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An A-DNA structure with two independent duplexes in the asymmetric unit.
Acta Crystallogr.,Sect.D, 55, 1999
438D
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BU of 438d by Molmil
STRUCTURE OF AN RNA DUPLEX R(GGGCGCUCC)2 WITH NON-ADJACENT G.U BASE PAIRS
Descriptor: RNA (5'-R(*GP*GP*GP*CP*GP*CP*UP*CP*C)-3')
Authors:Shi, K, Wahl, M.C, Sundaralingam, M.
Deposit date:1998-12-28
Release date:1999-05-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an RNA duplex r(G GCGC CC)2 with non-adjacent G*U base pairs.
Nucleic Acids Res., 27, 1999
456D
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BU of 456d by Molmil
MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATCCGCG): THE WATSON-CRICK TYPE N6-METHOXYADENOSINE/CYTIDINE BASE-PAIRS IN B-DNA
Descriptor: DNA (5'-D(*CP*GP*CP*GP*(A47)P*AP*TP*CP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Chatake, T, Ono, A, Ueno, Y, Matsuda, A, Takenaka, A.
Deposit date:1999-03-06
Release date:2000-01-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic studies on damaged DNAs. I. An N(6)-methoxyadenine residue forms a Watson-Crick pair with a cytosine residue in a B-DNA duplex.
J.Mol.Biol., 294, 1999
4AIT
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BU of 4ait by Molmil
RESTRAINED ENERGY REFINEMENT WITH TWO DIFFERENT ALGORITHMS AND FORCE FIELDS OF THE STRUCTURE OF THE ALPHA-AMYLASE INHIBITOR TENDAMISTAT DETERMINED BY NMR IN SOLUTION
Descriptor: TENDAMISTAT
Authors:Billeter, M, Schaumann, T, Braun, W, Wuthrich, K.
Deposit date:1990-05-14
Release date:1991-04-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Restrained Energy Refinement with Two Different Algorithms and Force Fields of the Structure of the Alpha-Amylase Inhibitor Tendamistat Determined by NMR in Solution
Biopolymers, 29, 1990
6GA1
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BU of 6ga1 by Molmil
Bacteriorhodopsin, dark state, cell 1
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAB
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BU of 6gab by Molmil
BACTERIORHODOPSIN, 460 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
Deposit date:2018-04-11
Release date:2019-04-24
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
2Y92
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BU of 2y92 by Molmil
Crystal structure of MAL adaptor protein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN,
Authors:Valkov, E, Stamp, A, Martin, J.L, Kobe, B.
Deposit date:2011-02-11
Release date:2011-09-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection.
Proc.Natl.Acad.Sci.USA, 108, 2011
1TMC
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BU of 1tmc by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF A CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE MISSING THE ALPHA3 DOMAIN OF THE HEAVY CHAIN
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-AW68), DECAMERIC PEPTIDE (EVAPPEYHRK)
Authors:Collins, E.J, Garboczi, D.N, Karpusas, M.N, Wiley, D.C.
Deposit date:1994-12-19
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of a class I major histocompatibility complex molecule missing the alpha 3 domain of the heavy chain.
Proc.Natl.Acad.Sci.USA, 92, 1995
1FAI
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BU of 1fai by Molmil
THREE-DIMENSIONAL STRUCTURE OF TWO CRYSTAL FORMS OF FAB R19.9, FROM A MONOCLONAL ANTI-ARSONATE ANTIBODY
Descriptor: IGG2B-KAPPA R19.9 FAB (HEAVY CHAIN), IGG2B-KAPPA R19.9 FAB (LIGHT CHAIN)
Authors:Lascombe, M.B, Alzari, P.M, Poljak, R.J, Nisonoff, A.
Deposit date:1992-05-27
Release date:1992-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Three-dimensional structure of two crystal forms of FabR19.9 from a monoclonal anti-arsonate antibody.
Proc.Natl.Acad.Sci.USA, 89, 1992
3T82
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BU of 3t82 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Descriptor: 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose, Carbonic anhydrase 2, ZINC ION
Authors:Hofmann, A, Wang, C.K.
Deposit date:2011-08-01
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011

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