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4AN7
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BU of 4an7 by Molmil
Kunitz type trypsin inhibitor complex with porcine trypsin
Descriptor: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR
Authors:Patil, D.N, Chaudhary, A, Kumar, P.
Deposit date:2012-03-15
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Basis for Dual Inhibitory Role of Tamarind Kunitz Inhibitor (Tki) Against Factor Xa and Trypsin.
FEBS J., 279, 2012
5NP1
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BU of 5np1 by Molmil
Open protomer of human ATM (Ataxia telangiectasia mutated)
Descriptor: Serine-protein kinase ATM
Authors:Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L.
Deposit date:2017-04-13
Release date:2017-05-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
3IMS
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BU of 3ims by Molmil
Transthyretin in complex with 2,6-dibromo-4-(2,6-dichlorophenethyl)phenol
Descriptor: 2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol, Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2009-08-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
J.Am.Chem.Soc., 132, 2010
4ABD
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BU of 4abd by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ...
Authors:Newman, J, Peat, T.S.
Deposit date:2011-12-08
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
5KSP
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BU of 5ksp by Molmil
hMiro1 C-domain GDP Complex C2221 Crystal Form
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
Authors:Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
Deposit date:2016-07-08
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5Z6Y
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BU of 5z6y by Molmil
Structure of sfYFP48S95C66BPA
Descriptor: Green fluorescent protein
Authors:Wang, J.Y, Wang, J.Y.
Deposit date:2018-01-25
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:structure of sfYFP48S95C66BPA at 1.95 Angstroms resolution
To Be Published
1W6C
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BU of 1w6c by Molmil
AGAO holoenzyme in a small cell, at 2.2 angstroms
Descriptor: COPPER (II) ION, PHENYLETHYLAMINE OXIDASE, SODIUM ION
Authors:Duff, A.P, Langley, D.B, Juda, G.A, Shepard, E.M, Dooley, D.M, Freeman, H.C, Guss, J.M.
Deposit date:2004-08-17
Release date:2005-12-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Copper Containing Amine Oxidase from Arthrobacter Globiformis: Refinement at 1.55 And 2.20 A Resolution in Two Crystal Forms.
Acta Crystallogr.,Sect.F, 62, 2006
1W5K
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BU of 1w5k by Molmil
AN ANTI-PARALLEL FOUR HELIX BUNDLE
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-07
Release date:2004-09-24
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution.
Biochemistry, 45, 2006
4B1T
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BU of 4b1t by Molmil
Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Menzel, A, Neumann, P, Stubbs, M.T.
Deposit date:2012-07-12
Release date:2012-08-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
5KYK
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BU of 5kyk by Molmil
Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs
Descriptor: 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas
Authors:Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S.
Deposit date:2016-07-21
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
4ZU2
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BU of 4zu2 by Molmil
Pseudomonas aeruginosa AtuE
Descriptor: IODIDE ION, Putative isohexenylglutaconyl-CoA hydratase
Authors:Poudel, N, Pfannstiel, J, Simon, O, Walter, N, Jendrossek, D, Papageorgiou, A.C.
Deposit date:2015-05-15
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Pseudomonas aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (AtuE) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family.
Appl.Environ.Microbiol., 81, 2015
1DAO
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BU of 1dao by Molmil
COVALENT ADDUCT OF D-AMINO ACID OXIDASE FROM PIG KIDNEY WITH 3-METHYL-2-OXO-VALERIC ACID
Descriptor: D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE
Authors:Todone, F, Mattevi, A.
Deposit date:1997-01-16
Release date:1997-07-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Active site plasticity in D-amino acid oxidase: a crystallographic analysis.
Biochemistry, 36, 1997
1DDO
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BU of 1ddo by Molmil
REDUCED D-AMINO ACID OXIDASE FROM PIG KIDNEY IN COMPLEX WITH IMINO-TRP
Descriptor: D-AMINO ACID OXIDASE, D-TRYPTOPHAN, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Todone, F, Mattevi, A.
Deposit date:1997-01-16
Release date:1997-07-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Active site plasticity in D-amino acid oxidase: a crystallographic analysis.
Biochemistry, 36, 1997
1DJY
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BU of 1djy by Molmil
PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-2,4,5-TRISPHOSPHATE
Descriptor: ACETATE ION, CALCIUM ION, D-MYO-INOSITOL-2,4,5-TRIPHOSPHATE, ...
Authors:Essen, L.-O, Perisic, O, Williams, R.L.
Deposit date:1996-08-24
Release date:1997-07-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mapping of the catalytic mechanism for a mammalian phosphoinositide-specific phospholipase C.
Biochemistry, 36, 1997
8Y0G
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BU of 8y0g by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-01-22
Release date:2024-03-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal protein of human Beta-catenin
To Be Published
6NWB
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BU of 6nwb by Molmil
PYL10 bound to the selective agonist hexabactin
Descriptor: Abscisic acid receptor PYL10, N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
Authors:Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R.
Deposit date:2019-02-06
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:PYL10 bound to the selective agonist hexabactin
To Be Published
6NR1
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BU of 6nr1 by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
Descriptor: Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, VACCENIC ACID
Authors:Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2019-01-22
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with Vaccenic acid (C18:1 delta11) to 2.1 Angstrom resolution
To Be Published
3I6W
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BU of 3i6w by Molmil
Structure and Activation Mechanism of the CHK2 DNA-Damage Checkpoint Kinase
Descriptor: Serine/threonine-protein kinase Chk2
Authors:Pavletich, N.P.
Deposit date:2009-07-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and activation mechanism of the CHK2 DNA damage checkpoint kinase.
Mol.Cell, 35, 2009
1NP9
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BU of 1np9 by Molmil
Structure of the parallel-stranded DNA quadruplex d(TTAGGGA)4 containing the human telomeric repeat
Descriptor: 5'-D(*TP*TP*AP*GP*GP*GP*T)-3'
Authors:Gavathiotis, E, Searle, M.S.
Deposit date:2003-01-17
Release date:2003-09-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the parallel-stranded DNA quadruplex d(TTAGGGT)4 containing the human telomeric repeat: evidence for A-tetrad formation from NMR and molecular dynamics simulations.
ORG.BIOMOL.CHEM., 1, 2003
1NT6
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BU of 1nt6 by Molmil
F1-Gramicidin C In Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN C
Authors:Townsley, L.E, Fletcher, T.G, Hinton, J.F.
Deposit date:2003-01-28
Release date:2003-02-11
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport, and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles.
Biochemistry, 42, 2003
1W5J
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BU of 1w5j by Molmil
AN ANTI-PARALLEL FOUR HELIX BUNDLE
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
Deposit date:2004-08-07
Release date:2004-09-24
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution.
Biochemistry, 45, 2006
4A7N
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BU of 4a7n by Molmil
Structure of bare F-actin filaments obtained from the same sample as the Actin-Tropomyosin-Myosin Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, F-ACTIN
Authors:Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S.
Deposit date:2011-11-14
Release date:2012-08-01
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (8.9 Å)
Cite:Structure of the Rigor Actin-Tropomyosin-Myosin Complex.
Cell(Cambridge,Mass.), 150, 2012
8Z61
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BU of 8z61 by Molmil
Human beta-catenin crystal structure
Descriptor: Catenin beta-1
Authors:Tim, F.
Deposit date:2024-04-18
Release date:2024-05-08
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 67, 2024
3IMT
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BU of 3imt by Molmil
Transthyretin in complex with (E)-4-(4-aminostyryl)-2,6-dibromophenol
Descriptor: 4-[(E)-2-(4-aminophenyl)ethenyl]-2,6-dibromophenol, Transthyretin
Authors:Connelly, S, Wilson, I.
Deposit date:2009-08-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity.
J.Am.Chem.Soc., 132, 2010
5O55
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BU of 5o55 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ047
Descriptor: NITRATE ION, Peregrin, ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-31
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018

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数据于2024-09-18公开中

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