456C
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![BU of 456c by Molmil](/molmil-images/mine/456c) | CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID | Descriptor: | 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, MMP-13, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-06 | Release date: | 1999-08-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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830C
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![BU of 830c by Molmil](/molmil-images/mine/830c) | COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | Descriptor: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-06 | Release date: | 1999-08-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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2X4Z
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![BU of 2x4z by Molmil](/molmil-images/mine/2x4z) | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | Descriptor: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | Deposit date: | 2010-02-03 | Release date: | 2010-05-19 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth. Proc.Natl.Acad.Sci.USA, 107, 2010
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3GB8
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![BU of 3gb8 by Molmil](/molmil-images/mine/3gb8) | Crystal structure of CRM1/Snurportin-1 complex | Descriptor: | Exportin-1, Snurportin-1 | Authors: | Dong, X, Biswas, A, Suel, K.E, Jackson, L.K, Martinez, R, Gu, H, Chook, Y.M. | Deposit date: | 2009-02-19 | Release date: | 2009-03-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for leucine-rich nuclear export signal recognition by CRM1. Nature, 458, 2009
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4GLI
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![BU of 4gli by Molmil](/molmil-images/mine/4gli) | Crystal Structure of Human SMN YG-Dimer | Descriptor: | Maltose-binding periplasmic protein, Survival motor neuron protein chimera | Authors: | Martin, R.S, Perry, K, Van Duyne, G.D. | Deposit date: | 2012-08-14 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | The survival motor neuron protein forms soluble glycine zipper oligomers. Structure, 20, 2012
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1HQR
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![BU of 1hqr by Molmil](/molmil-images/mine/1hqr) | CRYSTAL STRUCTURE OF A SUPERANTIGEN BOUND TO THE HIGH-AFFINITY, ZINC-DEPENDENT SITE ON MHC CLASS II | Descriptor: | HLA-DR ALPHA CHAIN, HLA-DR BETA CHAIN, MYELIN BASIC PROTEIN, ... | Authors: | Li, Y, Li, H, Dimasi, N, Schlievert, P, Mariuzza, R. | Deposit date: | 2000-12-19 | Release date: | 2001-01-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a superantigen bound to the high-affinity, zinc-dependent site on MHC class II. Immunity, 14, 2001
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7Z55
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![BU of 7z55 by Molmil](/molmil-images/mine/7z55) | Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in complex with its substrate | Descriptor: | ACETATE ION, CRISPR-associated protein, Cyclic RNA cA4, ... | Authors: | Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G. | Deposit date: | 2022-03-08 | Release date: | 2022-11-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.664 Å) | Cite: | Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases. Nucleic Acids Res., 50, 2022
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7Z56
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![BU of 7z56 by Molmil](/molmil-images/mine/7z56) | Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in its apo form | Descriptor: | CRISPR-associated protein | Authors: | Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G. | Deposit date: | 2022-03-08 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases. Nucleic Acids Res., 50, 2022
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1VSB
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![BU of 1vsb by Molmil](/molmil-images/mine/1vsb) | SUBTILISIN CARLSBERG L-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | SUBTILISIN CARLSBERG, TYPE VIII | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-09-17 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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6NZV
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![BU of 6nzv by Molmil](/molmil-images/mine/6nzv) | Crystal structure of HCV NS3/4A protease in complex with compound 12 | Descriptor: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ... | Authors: | Appleby, T.C, Taylor, J.G. | Deposit date: | 2019-02-14 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®. Bioorg.Med.Chem.Lett., 29, 2019
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5KCI
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![BU of 5kci by Molmil](/molmil-images/mine/5kci) | Crystal Structure of HTC1 | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | Authors: | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | Deposit date: | 2016-06-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Determining crystal structures through crowdsourcing and coursework. Nat Commun, 7, 2016
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2X9H
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![BU of 2x9h by Molmil](/molmil-images/mine/2x9h) | CRYSTAL STRUCTURE OF MYOSIN-2 MOTOR DOMAIN IN COMPLEX WITH ADP- METAVANADATE AND PENTACHLOROCARBAZOLE | Descriptor: | 2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL, ADP METAVANADATE, MAGNESIUM ION, ... | Authors: | Selvadurai, J, Kirst, J, Knoelker, H.J, Manstein, D.J. | Deposit date: | 2010-03-19 | Release date: | 2011-05-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Myosin-2 Motor Domain in Complex with Adp-Metavanadate and Pentachlorocarbazole To be Published
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4RG5
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![BU of 4rg5 by Molmil](/molmil-images/mine/4rg5) | Crystal Structure of S. Pombe SMN YG-Dimer | Descriptor: | MALONATE ION, Maltose-binding periplasmic protein, Survival Motor Neuron protein chimera, ... | Authors: | Gupta, K, Martin, R.S, Sarachan, K.L, Sharp, B, Van Duyne, G.D. | Deposit date: | 2014-09-29 | Release date: | 2015-07-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Oligomeric Properties of Survival Motor NeuronGemin2 Complexes. J.Biol.Chem., 290, 2015
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5JY3
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![BU of 5jy3 by Molmil](/molmil-images/mine/5jy3) | |
7LJE
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![BU of 7lje by Molmil](/molmil-images/mine/7lje) | Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases | Descriptor: | 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300 | Authors: | Jakob, C.G. | Deposit date: | 2021-01-29 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.607 Å) | Cite: | Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases. Bioorg.Med.Chem.Lett., 39, 2021
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3FXV
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![BU of 3fxv by Molmil](/molmil-images/mine/3fxv) | Identification of an N-oxide pyridine GW4064 analogue as a potent FXR agonist | Descriptor: | 12-meric peptide from Nuclear receptor coactivator 1, 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid, NR1H4 protein | Authors: | Feng, S, Yang, M, He, Y, Chen, L, Zhang, Z, Wang, Z, Hong, D, Richter, H, Benson, G.M, Bleicher, K, Grether, U, Martin, R, Plancher, J.-M, Kuhn, B, Rudolph, M.G. | Deposit date: | 2009-01-21 | Release date: | 2009-04-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist Bioorg.Med.Chem.Lett., 19, 2009
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3MJX
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![BU of 3mjx by Molmil](/molmil-images/mine/3mjx) | Crystal structure of myosin-2 motor domain in complex with ADP-Metavanadate and blebbistatin | Descriptor: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE, ADP METAVANADATE, MAGNESIUM ION, ... | Authors: | Fedorov, R, Baruch, P, Bauer, S, Manstein, D.J. | Deposit date: | 2010-04-13 | Release date: | 2011-04-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The mechanism of pentabromopseudilin inhibition of myosin motor activity. Nat.Struct.Mol.Biol., 16, 2009
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6HX0
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![BU of 6hx0 by Molmil](/molmil-images/mine/6hx0) | Cell wall binding domain of endolysin from Listeria phage A500. | Descriptor: | L-alanyl-D-glutamate peptidase | Authors: | Dunne, M, Taylor, N.M.I, Shen, Y, Loessner, M.J, Leiman, P.G. | Deposit date: | 2018-10-15 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural basis for recognition of bacterial cell wall teichoic acid by pseudo-symmetric SH3b-like repeats of a viral peptidoglycan hydrolase Chem Sci, 2020
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4RAK
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![BU of 4rak by Molmil](/molmil-images/mine/4rak) | |
3FLI
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![BU of 3fli by Molmil](/molmil-images/mine/3fli) | Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR) | Descriptor: | 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor | Authors: | Foster, P.G, Stout, T.J. | Deposit date: | 2008-12-18 | Release date: | 2009-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR). J.Med.Chem., 52, 2009
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5MG3
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![BU of 5mg3 by Molmil](/molmil-images/mine/5mg3) | EM fitted model of bacterial holo-translocon | Descriptor: | Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ... | Authors: | Schaffitzel, C, Botte, M. | Deposit date: | 2016-11-20 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion. Sci Rep, 6, 2016
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4VGC
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![BU of 4vgc by Molmil](/molmil-images/mine/4vgc) | GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-05-01 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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8A4O
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![BU of 8a4o by Molmil](/molmil-images/mine/8a4o) | |
8A14
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![BU of 8a14 by Molmil](/molmil-images/mine/8a14) | |
1VGC
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![BU of 1vgc by Molmil](/molmil-images/mine/1vgc) | GAMMA-CHYMOTRYPSIN L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | GAMMA CHYMOTRYPSIN, L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, SULFATE ION | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-05-01 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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