1JV2
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![BU of 1jv2 by Molmil](/molmil-images/mine/1jv2) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHAVBETA3 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, J.P, Stehle, T, Diefenbach, B, Zhang, R, Dunker, R, Scott, D, Joachimiak, A, Goodman, S.L, Arnaout, M.A. | Deposit date: | 2001-08-28 | Release date: | 2001-10-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3. Science, 294, 2001
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1KI1
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![BU of 1ki1 by Molmil](/molmil-images/mine/1ki1) | Guanine Nucleotide Exchange Region of Intersectin in Complex with Cdc42 | Descriptor: | G25K GTP-binding protein, placental isoform, SULFATE ION, ... | Authors: | Snyder, J.T, Pruitt, W.M, Der, C.J, Sondek, J. | Deposit date: | 2001-12-02 | Release date: | 2002-05-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the selective activation of Rho GTPases by Dbl exchange factors. Nat.Struct.Biol., 9, 2002
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3DKL
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![BU of 3dkl by Molmil](/molmil-images/mine/3dkl) | Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-25 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DP4
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![BU of 3dp4 by Molmil](/molmil-images/mine/3dp4) | Crystal structure of the binding domain of the AMPA subunit GluR3 bound to AMPA | Descriptor: | (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, Glutamate receptor 3, ZINC ION | Authors: | Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E. | Deposit date: | 2008-07-07 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure of the S1S2 glutamate binding domain of GLuR3. Proteins, 75, 2008
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3G0G
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![BU of 3g0g by Molmil](/molmil-images/mine/3g0g) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3DHD
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![BU of 3dhd by Molmil](/molmil-images/mine/3dhd) | Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide phosphoribosyltransferase, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-17 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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1KZ7
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![BU of 1kz7 by Molmil](/molmil-images/mine/1kz7) | Crystal Structure of the DH/PH Fragment of Murine Dbs in Complex with the Placental Isoform of Human Cdc42 | Descriptor: | CDC42 HOMOLOG, GUANINE NUCLEOTIDE EXCHANGE FACTOR DBS | Authors: | Rossman, K.L, Worthylake, D.K, Snyder, J.T, Siderovski, D.P, Campbell, S.L, Sondek, J. | Deposit date: | 2002-02-06 | Release date: | 2002-03-20 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A crystallographic view of interactions between Dbs and Cdc42: PH domain-assisted guanine nucleotide exchange. EMBO J., 21, 2002
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3G0D
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![BU of 3g0d by Molmil](/molmil-images/mine/3g0d) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | Descriptor: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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7MGS
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![BU of 7mgs by Molmil](/molmil-images/mine/7mgs) | |
3DKJ
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![BU of 3dkj by Molmil](/molmil-images/mine/3dkj) | Crystal structure of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, Nicotinamide phosphoribosyltransferase | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-25 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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7MGR
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![BU of 7mgr by Molmil](/molmil-images/mine/7mgr) | |
3DGR
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![BU of 3dgr by Molmil](/molmil-images/mine/3dgr) | Crystal structure of human NAMPT complexed with ADP analogue | Descriptor: | Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-15 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DHF
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![BU of 3dhf by Molmil](/molmil-images/mine/3dhf) | Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate | Descriptor: | BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-06-17 | Release date: | 2009-08-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT. Proc.Natl.Acad.Sci.USA, 106, 2009
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3DP6
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![BU of 3dp6 by Molmil](/molmil-images/mine/3dp6) | Crystal structure of the binding domain of the AMPA subunit GluR2 bound to glutamate | Descriptor: | GLUTAMIC ACID, Glutamate receptor 2, ZINC ION | Authors: | Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E. | Deposit date: | 2008-07-07 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of the S1S2 glutamate binding domain of GLuR3. Proteins, 75, 2008
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1KZG
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![BU of 1kzg by Molmil](/molmil-images/mine/1kzg) | DbsCdc42(Y889F) | Descriptor: | CDC42 HOMOLOG, GUANINE NUCLEOTIDE EXCHANGE FACTOR DBS | Authors: | Rossman, K.L, Worthylake, D.K, Snyder, J.T, Siderovski, D.P, Campbell, S.L, Sondek, J. | Deposit date: | 2002-02-06 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A crystallographic view of interactions between Dbs and Cdc42: PH domain-assisted guanine nucleotide exchange. EMBO J., 21, 2002
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1L5G
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![BU of 1l5g by Molmil](/molmil-images/mine/1l5g) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A. | Deposit date: | 2002-03-06 | Release date: | 2002-04-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand. Science, 296, 2002
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3G0C
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![BU of 3g0c by Molmil](/molmil-images/mine/3g0c) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3H0C
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![BU of 3h0c by Molmil](/molmil-images/mine/3h0c) | Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide | Authors: | Nordhoff, S, Cerezo-Galvez, S, Deppe, H, Hill, O, Lopez-Canet, M, Rummey, C, Thiemann, M, Matassa, V.G, Edwards, P.J, Feurer, A. | Deposit date: | 2009-04-09 | Release date: | 2009-06-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Discovery of b-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV To be Published
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5NHF
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![BU of 5nhf by Molmil](/molmil-images/mine/5nhf) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHJ
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![BU of 5nhj by Molmil](/molmil-images/mine/5nhj) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHP
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![BU of 5nhp by Molmil](/molmil-images/mine/5nhp) | Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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4OY9
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![BU of 4oy9 by Molmil](/molmil-images/mine/4oy9) | Crystal structure of human P-Cadherin EC1-EC2 in closed conformation | Descriptor: | CALCIUM ION, Cadherin-3 | Authors: | Dalle Vedove, A, Lucarelli, A.P, Nardone, V, Matino, A, Parisini, E. | Deposit date: | 2014-02-11 | Release date: | 2015-04-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The X-ray structure of human P-cadherin EC1-EC2 in a closed conformation provides insight into the type I cadherin dimerization pathway. Acta Crystallogr.,Sect.F, 71, 2015
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5N7F
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![BU of 5n7f by Molmil](/molmil-images/mine/5n7f) | MAGI-1 complexed with a pRSK1 peptide | Descriptor: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2017-02-20 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dynamic control of RSK complexes by phosphoswitch-based regulation. FEBS J., 285, 2018
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4OC5
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![BU of 4oc5 by Molmil](/molmil-images/mine/4oc5) | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with CHIBzL, a urea-based inhibitor N~2~-{[(S)-carboxy(4-hydroxyphenyl)methyl]carbamoyl}-N~6~-(4-iodobenzoyl)-L-lysine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | Deposit date: | 2014-01-08 | Release date: | 2014-05-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II. Bioorg.Med.Chem.Lett., 24, 2014
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4ONZ
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![BU of 4onz by Molmil](/molmil-images/mine/4onz) | |