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4Y7L
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BU of 4y7l by Molmil
T6SS protein TssM C-terminal domain (869-1107) from EAEC
Descriptor: GLYCEROL, Type VI secretion protein IcmF, ZINC ION
Authors:Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C.
Deposit date:2015-02-15
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Biogenesis and structure of a type VI secretion membrane core complex.
Nature, 523, 2015
2W4U
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BU of 2w4u by Molmil
Isometrically contracting insect asynchronous flight muscle quick frozen after a length step
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, TROPOMYOSIN ALPHA-1 CHAIN, ...
Authors:Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A.
Deposit date:2008-12-02
Release date:2010-08-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (35 Å)
Cite:Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
1KR0
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BU of 1kr0 by Molmil
Hevamine Mutant D125A/Y183F in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
2W8B
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BU of 2w8b by Molmil
Crystal structure of processed TolB in complex with Pal
Descriptor: ACETATE ION, GLYCEROL, PEPTIDOGLYCAN-ASSOCIATED LIPOPROTEIN, ...
Authors:Sharma, A, Bonsor, D.A, Kleanthous, C.
Deposit date:2009-01-15
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Allosteric Beta-Propeller Signalling in Tolb and its Manipulation by Translocating Colicins.
Embo J., 28, 2009
2VQD
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BU of 2vqd by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa complexed with AMPCP
Descriptor: BIOTIN CARBOXYLASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Mochalkin, I.
Deposit date:2008-03-13
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
Descriptor: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
Authors:Raman, K, Yarlagadda, B.
Deposit date:2007-02-13
Release date:2008-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
1KR1
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BU of 1kr1 by Molmil
Hevamine Mutant D125A/E127A in Complex with Tetra-NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A, SULFATE ION
Authors:Rozeboom, H.J, Dijkstra, B.W.
Deposit date:2002-01-08
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expression and Characterization of Active Site Mutants of Hevamine, a Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
4IUA
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BU of 4iua by Molmil
Crystal Structure of the NK2 Fragment (31-290) of the mouse Hepatocyte Growth Factor/Scatter Factor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor, SULFATE ION
Authors:Tolbert, W.D, Zhou, E, Kovach, A, Melcher, K, Xu, H.E.
Deposit date:2013-01-20
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal Structure of the NK2 Fragment of the mouse Hepatocyte Growth Factor/Scatter Factor
To be Published
6AHY
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BU of 6ahy by Molmil
Wnt signaling complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hirai, H, Arimori, T, Matoba, K, Mihara, E, Takagi, J.
Deposit date:2018-08-21
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a mammalian Wnt-frizzled complex.
Nat.Struct.Mol.Biol., 26, 2019
2EDI
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BU of 2edi by Molmil
Solution structure of the UQ_con domain from human NEDD8-conjugating enzyme NCE2
Descriptor: NEDD8-conjugating enzyme UBE2F
Authors:Endo, H, Izumi, K, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-14
Release date:2007-08-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the UQ_con domain from human NEDD8-conjugating enzyme NCE2
To be Published
6AEI
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BU of 6aei by Molmil
Cryo-EM structure of the receptor-activated TRPC5 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2018-08-05
Release date:2019-08-07
Last modified:2019-08-14
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
5CCL
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BU of 5ccl by Molmil
Crystal structure of SMYD3 with SAM and oxindole compound
Descriptor: 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-07-02
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.
Acs Med.Chem.Lett., 7, 2016
4YC9
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BU of 4yc9 by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i)
Descriptor: GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
2VYP
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BU of 2vyp by Molmil
Rabbit-muscle G-actin in complex with myxobacterial rhizopodin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Hagelueken, G, Albrecht, S.C, Steinmetz, H, Jansen, R, Heinz, D.W, Kalesse, M, Schubert, W.-D.
Deposit date:2008-07-25
Release date:2009-02-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Absolute Configuration of Rhizopodin and its Inhibition of Actin Polymerization by Dimerization.
Angew.Chem.Int.Ed.Engl., 48, 2009
4YCT
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BU of 4yct by Molmil
Endothiapepsin in complex with fragment 216
Descriptor: 1,2-ETHANEDIOL, 4-(trifluoromethyl)benzenecarboximidamide, ACETATE ION, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-20
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
3F33
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BU of 3f33 by Molmil
Apoferritin: complex with propofol
Descriptor: 2,6-BIS(1-METHYLETHYL)PHENOL, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
6WH6
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BU of 6wh6 by Molmil
Crystal structure of human sulfide quinone oxidoreductase in complex with coenzyme Q (cyanide soaked)
Descriptor: CYANIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, ...
Authors:Banerjee, R, Cho, U.S, Moon, S.
Deposit date:2020-04-07
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Dismantling and Rebuilding the Trisulfide Cofactor Demonstrates Its Essential Role in Human Sulfide Quinone Oxidoreductase.
J.Am.Chem.Soc., 142, 2020
4YD3
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BU of 4yd3 by Molmil
Endothiapepsin in complex with fragment 224
Descriptor: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2015-02-20
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.248 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
2EEP
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BU of 2eep by Molmil
Prolyl Tripeptidyl Aminopeptidase Complexed with an Inhibitor
Descriptor: Dipeptidyl aminopeptidase IV, putative, SULFATE ION, ...
Authors:Xu, Y, Nakajima, Y, Ito, K, Yoshimoto, T.
Deposit date:2007-02-16
Release date:2008-02-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel inhibitor for prolyl tripeptidyl aminopeptidase from Porphyromonas gingivalis and details of substrate-recognition mechanism
J.Mol.Biol., 375, 2008
4YEJ
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BU of 4yej by Molmil
Tailspike protein double mutant D339A/E372Q of E. coli bacteriophage HK620 in complex with pentasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-02-24
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
3F3Y
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BU of 3f3y by Molmil
Crystal structure of human cytosolic sulfotransferase SULT2A1 in complex with PAP and lithocholic acid
Descriptor: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Bile salt sulfotransferase
Authors:Pan, P.W, Dong, A, Amaya, M, Edwards, A.M.
Deposit date:2008-10-31
Release date:2009-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:rystal structure of human cytosolic sulfotransferase SULT2A1 in complex with PAP and lithocholic acid
To be Published
4IY9
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BU of 4iy9 by Molmil
Bmlp3 - C2 crystal form
Descriptor: 30K protein 1, IODIDE ION
Authors:Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G.
Deposit date:2013-01-28
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two Crystal Structures of Bombyx mori Lipoprotein 3 - Structural Characterization of a New 30-kDa Lipoprotein Family Member.
Plos One, 8, 2013
2WA4
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BU of 2wa4 by Molmil
FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide
Descriptor: FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ...
Authors:Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2009-02-02
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.
Bioorg. Med. Chem. Lett., 20, 2010
2E37
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BU of 2e37 by Molmil
Structure of TT0471 protein from Thermus thermophilus
Descriptor: L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Lokanath, N.K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-11-21
Release date:2007-11-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of TT0471 protein from Thermus thermophilus
To be Published
4IZS
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BU of 4izs by Molmil
The C145A mutant of the amidase from Nesterenkonia sp. AN1 in complex with butyramide
Descriptor: Amidase, BUTYRAMIDE, DI(HYDROXYETHYL)ETHER
Authors:Kimani, S.W, Sewell, B.T.
Deposit date:2013-01-30
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp.
To be Published

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