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4BQD
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BU of 4bqd by Molmil
KD1 of human TFPI in complex with a synthetic peptide
Descriptor: GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT
Authors:Griessner, A, Brandstetter, H.
Deposit date:2013-05-30
Release date:2013-12-04
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi)
J.Biol.Chem., 289, 2014
3N0P
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BU of 3n0p by Molmil
A mutant human Prolactin receptor antagonist H30A in complex with the extracellular domain of the human prolactin receptor
Descriptor: CHLORIDE ION, Prolactin, Prolactin receptor, ...
Authors:Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E.
Deposit date:2010-05-14
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
5OIM
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BU of 5oim by Molmil
InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate
Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
3S3W
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BU of 3s3w by Molmil
Structure of chicken acid-sensing ion channel 1 at 2.6 a resolution and ph 7.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, ...
Authors:Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A.
Deposit date:2011-05-18
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1.
Nat Commun, 3, 2012
2E59
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BU of 2e59 by Molmil
Crystal structure of human MD-2 in complex with lipid IVa
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose, ...
Authors:Ohto, U, Satow, Y.
Deposit date:2006-12-19
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structures of human MD-2 and its complex with antiendotoxic lipid IVa
Science, 316, 2007
4CMH
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BU of 4cmh by Molmil
Crystal structure of CD38 with a novel CD38-targeting antibody SAR650984
Descriptor: ADP-RIBOSYL CYCLASE 1, HEAVY CHAIN OF SAR650984-FAB FRAGMENT, LIGHT CHAIN OF SAR650984-FAB FRAGMENT
Authors:Deckert, J, Wetzel, M.C, Park, P.U, Bartle, L.M, Skaletskaya, A, Goldmacher, V, Vallee, F, ZhouLiu, Q, Ferrari, P, Pouzieux, S, Lahoute, C, Dumontet, C, Plesa, A, Chiron, M, Lejeune, P, Chittenden, T, Blanc, V.
Deposit date:2014-01-15
Release date:2014-07-16
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:SAR650984, a novel humanized CD38-targeting antibody, demonstrates potent antitumor activity in models of multiple myeloma and other CD38+ hematologic malignancies.
Clin. Cancer Res., 20, 2014
6R28
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BU of 6r28 by Molmil
Structure of peptide P7, which binds Cdc42 and inhibits effector interactions.
Descriptor: peptide P7
Authors:Murphy, N.P, Mott, H.R, Owen, D.
Deposit date:2019-03-15
Release date:2020-01-29
Last modified:2024-03-06
Method:SOLUTION NMR
Cite:The discovery and maturation of peptide biologics targeting the small G-protein Cdc42: A bioblockade for Ras-driven signaling.
J.Biol.Chem., 295, 2020
3NCE
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BU of 3nce by Molmil
A mutant human Prolactin receptor antagonist H27A in complex with the mutant extracellular domain H188A of the human prolactin receptor
Descriptor: CARBONATE ION, CHLORIDE ION, Prolactin, ...
Authors:Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E.
Deposit date:2010-06-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
2HK4
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BU of 2hk4 by Molmil
Dimeric solution structure of the cyclic octamer d(CCGTCCGT)
Descriptor: 5'-D(P*CP*CP*GP*TP*CP*CP*GP*T)-3'
Authors:Escaja, N, Gomez-Pinto, I, Pedroso, E, Gonzalez, C.
Deposit date:2006-07-03
Release date:2007-03-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Four-stranded DNA structures can be stabilized by two different types of minor groove G:C:G:C tetrads.
J.Am.Chem.Soc., 129, 2007
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
1D83
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BU of 1d83 by Molmil
STRUCTURE REFINEMENT OF THE CHROMOMYCIN DIMER/DNA OLIGOMER COMPLEX IN SOLUTION
Descriptor: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ...
Authors:Gao, X, Mirau, P, Patel, D.J.
Deposit date:1992-07-22
Release date:1993-07-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure refinement of the chromomycin dimer-DNA oligomer complex in solution.
J.Mol.Biol., 223, 1992
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
3NCC
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BU of 3ncc by Molmil
A human Prolactin receptor antagonist in complex with the mutant extracellular domain H188A of the human prolactin receptor
Descriptor: CARBONATE ION, CHLORIDE ION, Prolactin, ...
Authors:Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E.
Deposit date:2010-06-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
2OPT
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BU of 2opt by Molmil
Crystal Structure of Apo ActR from Streptomyces coelicolor.
Descriptor: ActII protein
Authors:Willems, A.R, Junop, M.S.
Deposit date:2007-01-30
Release date:2008-02-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
4BK6
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BU of 4bk6 by Molmil
Crystal Structure of a dimeric variant of Bet v 1
Descriptor: MAJOR POLLEN ALLERGEN BET V 1-A
Authors:Kofler, S.G, Brandstetter, H.
Deposit date:2013-04-22
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Stabilization of the Dimeric Birch Pollen Allergen Bet V 1 Impacts its Immunological Properties
J.Biol.Chem., 289, 2014
2OM9
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BU of 2om9 by Molmil
Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma
Descriptor: (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)-1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A-TETRAHYDRO-6H-BENZO[C]CHROMENE-9-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Ambrosio, A.L.B, Garratt, R.C.
Deposit date:2007-01-21
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ajulemic Acid, a Synthetic Nonpsychoactive Cannabinoid Acid, Bound to the Ligand Binding Domain of the Human Peroxisome Proliferator-activated Receptor gamma
J.Biol.Chem., 282, 2007
3NCB
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BU of 3ncb by Molmil
A mutant human Prolactin receptor antagonist H180A in complex with the extracellular domain of the human prolactin receptor
Descriptor: CARBONATE ION, CHLORIDE ION, Prolactin, ...
Authors:Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E.
Deposit date:2010-06-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
3NCF
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BU of 3ncf by Molmil
A mutant human Prolactin receptor antagonist H30A in complex with the mutant extracellular domain H188A of the human prolactin receptor
Descriptor: CHLORIDE ION, Prolactin, Prolactin receptor, ...
Authors:Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E.
Deposit date:2010-06-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
4BTZ
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BU of 4btz by Molmil
Crystal Structure of peroxinitrite treated Major Birch Pollen Allergen Bet v 1.0101 (isoform a)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A
Authors:Kofler, S.G, Ackaert, C, Brandstetter, H.
Deposit date:2013-06-19
Release date:2014-07-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The Crystal Structure of the Major Birch Pollen Allergen Bet V 1 After Nitration with Peroxinitrite
To be Published
2OBF
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BU of 2obf by Molmil
Structure of K57A hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy (SAH)
Descriptor: (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2006-12-19
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
4BPW
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BU of 4bpw by Molmil
Crystal structure of human primase bound to UTP
Descriptor: DNA PRIMASE LARGE SUBUNIT, DNA PRIMASE SMALL SUBUNIT, MAGNESIUM ION, ...
Authors:Kilkenny, M.L, Perera, R.L, Pellegrini, L.
Deposit date:2013-05-28
Release date:2013-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structures of Human Primase Reveal Design of Nucleotide Elongation Site and Mode of Pol Alpha Tethering
Proc.Natl.Acad.Sci.USA, 110, 2013
7UN8
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BU of 7un8 by Molmil
SfSTING with c-di-GMP single fiber
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12
Authors:Morehouse, B.R, Yip, M.C.J, Keszei, A.F.A, McNamara-Bordewick, N.K, Shao, S, Kranzusch, P.J.
Deposit date:2022-04-09
Release date:2022-07-27
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of an active bacterial TIR-STING filament complex.
Nature, 608, 2022
7UN9
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BU of 7un9 by Molmil
SfSTING with c-di-GMP double fiber
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CD-NTase-associated protein 12
Authors:Morehouse, B.R, Yip, M.C.J, Keszei, A.F.A, McNamara-Bordewick, N.K, Shao, S, Kranzusch, P.J.
Deposit date:2022-04-09
Release date:2022-07-27
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of an active bacterial TIR-STING filament complex.
Nature, 608, 2022
7UNA
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BU of 7una by Molmil
SfSTING with cGAMP (masked)
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CD-NTase-associated protein 12
Authors:Morehouse, B.R, Yip, M.C.J, Keszei, A.F.A, McNamara-Bordewick, N.K, Shao, S, Kranzusch, P.J.
Deposit date:2022-04-09
Release date:2022-07-27
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of an active bacterial TIR-STING filament complex.
Nature, 608, 2022
2ONY
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BU of 2ony by Molmil
Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
Descriptor: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2007-01-24
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007

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數據於2024-07-10公開中

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