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PDB: 12521 results

7ZUU
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BU of 7zuu by Molmil
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ...
Authors:Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J.
Deposit date:2022-05-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7ZUP
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BU of 7zup by Molmil
Human PRMT5:MEP50 structure with Fragment (Example 18) and MTA Bound
Descriptor: 3-ethylimidazo[4,5-b]pyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ...
Authors:Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J.
Deposit date:2022-05-12
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7ZUQ
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BU of 7zuq by Molmil
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ...
Authors:Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J.
Deposit date:2022-05-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7ZUY
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BU of 7zuy by Molmil
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ...
Authors:Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J.
Deposit date:2022-05-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
7ZVU
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BU of 7zvu by Molmil
HUMAN PRMT5:MEP50 Crystal Structure With MTA and Fragment Bound
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Methylosome protein 50, ...
Authors:Ahmad, M.U, Koelmel, W, Arkhipova, V, Lawson, J.D, Smith, C.R, Gunn, R.J.
Deposit date:2022-05-17
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
2NZT
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BU of 2nzt by Molmil
Crystal structure of human hexokinase II
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Hexokinase-2, UNKNOWN ATOM OR ION, ...
Authors:Rabeh, W.M, Zhu, H, Nedyalkova, L, Tempel, W, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-11-25
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The catalytic inactivation of the N-half of human hexokinase 2 and structural and biochemical characterization of its mitochondrial conformation.
Biosci.Rep., 38, 2018
5TTG
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BU of 5ttg by Molmil
Crystal structure of catalytic domain of GLP with MS012
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-11-03
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5EOW
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BU of 5eow by Molmil
Crystal Structure of 6-Hydroxynicotinic Acid 3-Monooxygenase from Pseudomonas putida KT2440
Descriptor: 6-hydroxynicotinate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yuen, M.E, Zhen, W, Gerwig, T.J, Story, R.W, Kopp, M, Nakamoto, K, Snider, M.J, Hicks, K.A.
Deposit date:2015-11-10
Release date:2016-06-08
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Characterization of 6-Hydroxynicotinic Acid 3-Monooxygenase, A Novel Decarboxylative Hydroxylase Involved in Aerobic Nicotinate Degradation.
Biochemistry, 55, 2016
5TVL
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BU of 5tvl by Molmil
Crystal structure of foldase protein PrsA from Streptococcus pneumoniae str. Canada MDR_19A
Descriptor: CHLORIDE ION, Foldase protein PrsA, GLYCEROL, ...
Authors:Borek, D, Yim, V, Kudritska, M, Wawrzak, Z, Stogios, P.J, Otwinowski, Z, Savchenko, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-11-09
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of foldase protein PrsA from Streptococcus pneumoniae str. Canada MDR_19A
To Be Published
2P4U
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BU of 2p4u by Molmil
Crystal structure of acid phosphatase 1 (Acp1) from Mus musculus
Descriptor: Acid phosphatase 1, PHOSPHATE ION
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Wu, B, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-13
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
8AQF
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BU of 8aqf by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515
Descriptor: 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase
Authors:Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M.
Deposit date:2022-08-12
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy
To Be Published
3GEG
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BU of 3geg by Molmil
Fingerprint and Structural Analysis of a SCOR enzyme with its bound cofactor from Clostridium thermocellum
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Huether, R, Liu, Z.J, Xu, H, Wang, B.C, Pletnev, V, Mao, Q, Umland, T, Duax, W.
Deposit date:2009-02-25
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Sequence fingerprint and structural analysis of the SCOR enzyme A3DFK9 from Clostridium thermocellum.
Proteins, 78, 2010
2P34
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BU of 2p34 by Molmil
Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-4man-OMe
Descriptor: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
Authors:Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.
Deposit date:2007-03-08
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: new insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
2P37
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BU of 2p37 by Molmil
Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-3man-OMe
Descriptor: CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ...
Authors:Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.
Deposit date:2007-03-08
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSS
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BU of 7zss by Molmil
cryo-EM structure of D614 spike in complex with de novo designed binder
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-08
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZRV
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BU of 7zrv by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, full map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ...
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-05
Release date:2023-03-08
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7THS
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BU of 7ths by Molmil
Macrocyclic plasmin inhibitor
Descriptor: (2S)-butane-1,2-diol, (6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide, Plasminogen, ...
Authors:Guojie, W.
Deposit date:2022-01-12
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors.
Chemmedchem, 18, 2023
7YVZ
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BU of 7yvz by Molmil
Structure of Caenorhabditis elegans CISD-1/mitoNEET
Descriptor: CDGSH iron-sulfur domain-containing protein 1 (CISD-1/mitoNEET), FE2/S2 (INORGANIC) CLUSTER
Authors:Hasegawa, K, Hagiuda, E, Taguchi, A.T, Geldenhuys, W, Iwasaki, T, Kumasaka, T.
Deposit date:2022-08-20
Release date:2022-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and biological evaluation of Caenorhabditis elegans CISD-1/mitoNEET, a KLP-17 tail domain homologue, supports attenuation of paraquat-induced oxidative stress through a p38 MAPK-mediated antioxidant defense response.
Adv Redox Res, 6, 2022
5VC8
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BU of 5vc8 by Molmil
Crystal structure of the WHSC1 PWWP1 domain
Descriptor: DNA (5'-D(P*CP*TP*(DN))-3'), Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ...
Authors:Qin, S, Tempel, W, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-03-31
Release date:2017-06-28
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
2Q8Z
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BU of 2q8z by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-UMP
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-AMINOURIDINE 5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F.
Deposit date:2007-06-12
Release date:2008-01-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase.
J.Med.Chem., 51, 2008
7TZC
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BU of 7tzc by Molmil
A drug and ATP binding site in type 1 ryanodine receptor
Descriptor: (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(7-methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Melville, Z, Dridi, H, Yuan, Q, Reiken, S, Anetta, W, Liu, Y, Clarke, O.B, Marks, A.R.
Deposit date:2022-02-15
Release date:2022-05-18
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:A drug and ATP binding site in type 1 ryanodine receptor.
Structure, 30, 2022
5G4W
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BU of 5g4w by Molmil
S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR
Descriptor: GLYCEROL, HISA, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-05-17
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G5I
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BU of 5g5i by Molmil
S. enterica HisA mutant D10G
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-05-25
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5G1T
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BU of 5g1t by Molmil
S. enterica HisA mutant dup13-15, D10G
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-03-30
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

223790

數據於2024-08-14公開中

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