1EAP
 
 | | CRYSTAL STRUCTURE OF A CATALYTIC ANTIBODY WITH A SERINE PROTEASE ACTIVE SITE | | Descriptor: | IGG2B-KAPPA 17E8 FAB (HEAVY CHAIN), IGG2B-KAPPA 17E8 FAB (LIGHT CHAIN), PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE | | Authors: | Zhou, G.W, Guo, J, Huang, W, Scanlan, T.S, Fletterick, R.J. | | Deposit date: | 1994-08-10 | | Release date: | 1994-12-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of a catalytic antibody with a serine protease active site.
Science, 265, 1994
|
|
1EOQ
 | | ROUS SARCOMA VIRUS CAPSID PROTEIN: C-TERMINAL DOMAIN | | Descriptor: | GAG POLYPROTEIN CAPSID PROTEIN P27 | | Authors: | Kingston, R.L, Fitzon-Ostendorp, T, Eisenmesser, E.Z, Schatz, G.W, Vogt, V.M, Post, C.B, Rossmann, M.G. | | Deposit date: | 2000-03-23 | | Release date: | 2000-08-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and self-association of the Rous sarcoma virus capsid protein.
Structure Fold.Des., 8, 2000
|
|
1EWI
 | | HUMAN REPLICATION PROTEIN A: GLOBAL FOLD OF THE N-TERMINAL RPA-70 DOMAIN REVEALS A BASIC CLEFT AND FLEXIBLE C-TERMINAL LINKER | | Descriptor: | REPLICATION PROTEIN A | | Authors: | Jacobs, D.M, Lipton, A.S, Isern, N.G, Daughdrill, G.W, Lowry, D.F, Gomes, X, Wold, M.S. | | Deposit date: | 2000-04-25 | | Release date: | 2000-05-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Human replication protein A: global fold of the N-terminal RPA-70 domain reveals a basic cleft and flexible C-terminal linker.
J.Biomol.NMR, 14, 1999
|
|
1EM9
 | | ROUS SARCOMA VIRUS CAPSID PROTEIN: N-TERMINAL DOMAIN | | Descriptor: | GAG POLYPROTEIN CAPSID PROTEIN P27, MAGNESIUM ION | | Authors: | Kingston, R.L, Fitzon-Ostendorp, T, Eisenmesser, E.Z, Schatz, G.W, Vogt, V.M, Post, C.B, Rossmann, M.G. | | Deposit date: | 2000-03-16 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure and self-association of the Rous sarcoma virus capsid protein.
Structure Fold.Des., 8, 2000
|
|
1E91
 | | Structure of the complex of the Mad1-Sin3B interaction domains | | Descriptor: | MAD PROTEIN (MAX DIMERIZER), PAIRED AMPHIPATHIC HELIX PROTEIN SIN3B | | Authors: | Spronk, C.A.E.M, Tessari, M, Kaan, A.M, Jansen, J.F.A, Vermeulen, M, Stunnenberg, H.G, Vuister, G.W. | | Deposit date: | 2000-10-04 | | Release date: | 2000-11-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The MAD1-Sin3B Interaction Involves a Novel Helical Fold
Nat.Struct.Biol., 7, 2000
|
|
6ALI
 | |
6AQF
 | | Crystal structure of A2AAR-BRIL in complex with the antagonist ZM241385 produced from Pichia pastoris | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Eddy, M.T, Lee, M.Y, Gao, Z, White, K, Didenko, T, Horst, R, Audet, M, Stanczak, P, McClary, K.M, Han, G.W, Jacobson, K.A, Stevens, R.C, Wuthrich, K. | | Deposit date: | 2017-08-19 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor.
Cell, 172, 2018
|
|
6AMR
 | |
6BQG
 | | Crystal structure of 5-HT2C in complex with ergotamine | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
|
|
6CKQ
 | |
6BQH
 | | Crystal structure of 5-HT2C in complex with ritanserin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ... | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
|
|
6D0T
 | | De novo design of a fluorescence-activating beta barrel - BB1 | | Descriptor: | BB1 | | Authors: | Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D. | | Deposit date: | 2018-04-10 | | Release date: | 2018-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
|
|
6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
|
|
1TPT
 | | THREE-DIMENSIONAL STRUCTURE OF THYMIDINE PHOSPHORYLASE FROM ESCHERICHIA COLI AT 2.8 ANGSTROMS RESOLUTION | | Descriptor: | SULFATE ION, THYMIDINE PHOSPHORYLASE, THYMINE | | Authors: | Walter, M.R, Cook, W.J, Cole, L.B, Short, S.A, Koszalka, G.W, Krenitsky, T.A, Ealick, S.E. | | Deposit date: | 1990-06-14 | | Release date: | 1991-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Three-dimensional structure of thymidine phosphorylase from Escherichia coli at 2.8 A resolution.
J.Biol.Chem., 265, 1990
|
|
1U45
 | | 8oxoguanine at the pre-insertion site of the polymerase active site | | Descriptor: | DNA polymerase I, DNA primer strand, DNA template strand with 8-oxoguanine, ... | | Authors: | Hsu, G.W, Ober, M, Carell, T, Beese, L.S. | | Deposit date: | 2004-07-23 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase.
Nature, 431, 2004
|
|
1TTL
 | | Omega-conotoxin GVIA, a N-type calcium channel blocker | | Descriptor: | Omega-conotoxin GVIA | | Authors: | Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J. | | Deposit date: | 2004-06-23 | | Release date: | 2004-07-13 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
J.Biol.Chem., 279, 2004
|
|
1U4B
 | | Extension of an adenine-8oxoguanine mismatch | | Descriptor: | DNA polymerase I, DNA primer strand, DNA template strand with 8-oxoguanine, ... | | Authors: | Hsu, G.W, Ober, M, Carell, T, Beese, L.S. | | Deposit date: | 2004-07-23 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase.
Nature, 431, 2004
|
|
1UA0
 | | Aminofluorene DNA adduct at the pre-insertion site of a DNA polymerase | | Descriptor: | 2-AMINOFLUORENE, DNA polymerase I, DNA primer strand, ... | | Authors: | Hsu, G.W, Kiefer, J.R, Becherel, O.J, Fuchs, R.P.P, Beese, L.S. | | Deposit date: | 2004-08-11 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Observing translesion synthesis of an aromatic amine DNA adduct by a high-fidelity DNA polymerase
J.Biol.Chem., 279, 2004
|
|
1TR6
 | | NMR solution structure of omega-conotoxin [K10]GVIA, a cyclic cysteine knot peptide | | Descriptor: | Omega-conotoxin GVIA | | Authors: | Mould, J, Yasuda, T, Schroeder, C.I, Beedle, A.M, Doering, C.J, Zamponi, G.W, Adams, D.J, Lewis, R.J. | | Deposit date: | 2004-06-21 | | Release date: | 2004-07-13 | | Last modified: | 2011-10-05 | | Method: | SOLUTION NMR | | Cite: | The alpha2delta auxiliary subunit reduces affinity of omega-conotoxins for recombinant N-type (Cav2.2) calcium channels
J.Biol.Chem., 279, 2004
|
|
1UA1
 | | Structure of aminofluorene adduct paired opposite cytosine at the polymerase active site. | | Descriptor: | 2-AMINOFLUORENE, DNA polymerase I, DNA primer strand, ... | | Authors: | Hsu, G.W, Kiefer, J.R, Becherel, O.J, Fuchs, R.P.P, Beese, L.S. | | Deposit date: | 2004-08-11 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Observing translesion synthesis of an aromatic amine DNA adduct by a high-fidelity DNA polymerase
J.Biol.Chem., 279, 2004
|
|
1U47
 | | cytosine-8-Oxoguanine base pair at the polymerase active site | | Descriptor: | DNA polymerase I, DNA primer strand, DNA template strand with 8-oxoguanine, ... | | Authors: | Hsu, G.W, Ober, M, Carell, T, Beese, L.S. | | Deposit date: | 2004-07-23 | | Release date: | 2004-09-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Error-prone replication of oxidatively damaged DNA by a high-fidelity DNA polymerase.
Nature, 431, 2004
|
|
2XM9
 | | Structure of a small molecule inhibitor with the kinase domain of Chk2 | | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
|
|
1R75
 | |
2XM8
 | | Co-crystal structure of a small molecule inhibitor bound to the kinase domain of Chk2 | | Descriptor: | 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
|
|
2XH5
 | | Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB | | Descriptor: | 4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | | Authors: | Davies, T.G, McHardy, T, Caldwell, J.J, Cheung, K.M, Hunter, L.J, Taylor, K, Rowlands, M, Ruddle, R, Henley, A, Brandon, A.D, Valenti, M, Fazal, L, Seavers, L, Raynaud, F.I, Eccles, S.A, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-06-09 | | Release date: | 2010-06-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).
J.Med.Chem., 53, 2010
|
|
