6P2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p2l by Molmil](/molmil-images/mine/6p2l) | Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme | Descriptor: | CHLORIDE ION, Glycosyl hydrolase BNR repeat-containing protein, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
|
|
8S8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s8c by Molmil](/molmil-images/mine/8s8c) | Structure of Kras in complex with inhibitor MK-1084 | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Day, P.J, Cleasby, A. | Deposit date: | 2024-03-06 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 2024
|
|
1PGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pge by Molmil](/molmil-images/mine/1pge) | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID (IODOSUPROFEN) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P-(2'-IODO-5'-THENOYL)HYDROTROPIC ACID, ... | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | Deposit date: | 1995-12-02 | Release date: | 1997-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site. Biochemistry, 35, 1996
|
|
6P2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p2n by Molmil](/molmil-images/mine/6p2n) | Crystal structure of Paenibacillus graminis GH74 (PgGH74) | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Stogios, P.J. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
|
|
6V56
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v56 by Molmil](/molmil-images/mine/6v56) | The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000985494 | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2019-12-03 | Release date: | 2021-02-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000985494 To Be Published
|
|
6PPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ppw by Molmil](/molmil-images/mine/6ppw) | Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate | Descriptor: | D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase | Authors: | Rosanally, A.Z, Junop, M.S, Berti, P.J. | Deposit date: | 2019-07-08 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB. Biochemistry, 58, 2019
|
|
6PGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pgv by Molmil](/molmil-images/mine/6pgv) | |
4YFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yfj by Molmil](/molmil-images/mine/4yfj) | Crystal structure of aminoglycoside acetyltransferase AAC(3)-Ib | Descriptor: | Aminoglycoside 3'-N-acetyltransferase, SULFATE ION | Authors: | Stogios, P.J, Xu, Z, Evdokimova, E, Yim, V, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-02-25 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of aminoglycoside acetyltransferase AAC(3)-Ib To Be Published
|
|
1PGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pgf by Molmil](/molmil-images/mine/1pgf) | PROSTAGLANDIN H2 SYNTHASE-1 COMPLEXED WITH 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYLINDOLE-3-ACETIC ACID (IODOINDOMETHACIN), CIS MODEL | Descriptor: | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Loll, P.J, Picot, D, Garavito, R.M. | Deposit date: | 1995-12-02 | Release date: | 1997-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Synthesis and use of iodinated nonsteroidal antiinflammatory drug analogs as crystallographic probes of the prostaglandin H2 synthase cyclooxygenase active site. Biochemistry, 35, 1996
|
|
2CKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cks by Molmil](/molmil-images/mine/2cks) | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) | Descriptor: | BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ... | Authors: | Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M. | Deposit date: | 2006-04-21 | Release date: | 2007-05-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose To be Published
|
|
8SS1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ss1 by Molmil](/molmil-images/mine/8ss1) | |
8SRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8srz by Molmil](/molmil-images/mine/8srz) | |
6P0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p0r by Molmil](/molmil-images/mine/6p0r) | Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor | Descriptor: | (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ... | Authors: | Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-17 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor to be published
|
|
2BOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2boc by Molmil](/molmil-images/mine/2boc) | Potassium channel KcsA-Fab complex in thallium with tetraethylarsonium (TEAs) | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ... | Authors: | Lenaeus, M.J, Vamvouka, M, Focia, P.J, Gross, A. | Deposit date: | 2005-04-09 | Release date: | 2005-04-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural Basis of Tea Blockade in a Model Potassium Channel Nat.Struct.Mol.Biol., 12, 2005
|
|
8T55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
|
|
7KNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7knr by Molmil](/molmil-images/mine/7knr) | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558 | Descriptor: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W. | Deposit date: | 2020-11-05 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988558 To Be Published
|
|
6PPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ppx by Molmil](/molmil-images/mine/6ppx) | |
7KNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kny by Molmil](/molmil-images/mine/7kny) | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528 | Descriptor: | 2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, White, S.W. | Deposit date: | 2020-11-06 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/California) in complex with SJ000988528 To Be Published
|
|
7KOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kop by Molmil](/molmil-images/mine/7kop) | The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539 | Descriptor: | 2-(2-fluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Seetharaman, J, White, S.W. | Deposit date: | 2020-11-09 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with SJ000988539 To Be Published
|
|
2NLW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nlw by Molmil](/molmil-images/mine/2nlw) | |
6P7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p7i by Molmil](/molmil-images/mine/6p7i) | Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound | Descriptor: | GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ... | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-05 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor J.Med.Chem., 63, 2020
|
|
8T9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t9n by Molmil](/molmil-images/mine/8t9n) | Bacillus subtilis RsgI GGG mutant | Descriptor: | Anti-sigma-I factor RsgI | Authors: | Brogan, A.P, Habib, C, Hobbs, S.J, Kranzusch, P.J, Rudner, D.Z. | Deposit date: | 2023-06-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacterial SEAL domains undergo autoproteolysis and function in regulated intramembrane proteolysis. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6PPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ppz by Molmil](/molmil-images/mine/6ppz) | Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc) | Descriptor: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, MANGANESE (II) ION, N-acetylneuraminate synthase, ... | Authors: | Berti, P.J, Junop, M.S. | Deposit date: | 2019-07-08 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB. Biochemistry, 58, 2019
|
|
2BU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bu9 by Molmil](/molmil-images/mine/2bu9) | Isopenicillin N synthase complexed with L-aminoadipoyl-L-cysteinyl-L- hexafluorovaline | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE, FE (III) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Howard-Jones, A.R, Rutledge, P.J, Clifton, I.J, Adlington, R.M, Baldwin, J.E. | Deposit date: | 2005-06-09 | Release date: | 2005-09-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Unique Binding of a Non-Natural L,L,L-Substrate by Isopenicillin N Synthase Biochem.Biophys.Res.Commun., 336, 2005
|
|
2N2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n2r by Molmil](/molmil-images/mine/2n2r) | NMR solution structure of RsAFP2 | Descriptor: | Defensin-like protein 2 | Authors: | Harvey, P.J, Craik, D.J, Vriens, K. | Deposit date: | 2015-05-12 | Release date: | 2016-05-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The radish defensins RsAFP1 and RsAFP2 act synergistically with caspofungin against Candida albicans biofilms. Peptides, 75, 2016
|
|