5ZLA
 
 | | Crystal structure of mutant C387A of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III | | Descriptor: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol, DFA-IIIase C387A mutant | | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | Deposit date: | 2018-03-27 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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5ZKU
 | | Crystal structure of DFA-IIIase from Arthrobacter chlorophenolicus A6 in complex with DFA-III | | Descriptor: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane ]-3',4',7-triol, DFA-IIIase | | Authors: | Yu, S.H, Shen, H, Li, X, Mu, W.M. | | Deposit date: | 2018-03-26 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural and functional basis of difructose anhydride III hydrolase, which sequentially converts inulin using the same catalytic residue
Acs Catalysis, 8, 2018
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3VEJ
 | | Crystal structure of the Get5 carboxyl domain from S. cerevisiae | | Descriptor: | PHOSPHATE ION, Ubiquitin-like protein MDY2 | | Authors: | Chartron, J.W, Vandervelde, D.G, Rao, M, Clemons Jr, W.M. | | Deposit date: | 2012-01-08 | | Release date: | 2012-01-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Get5 Carboxyl-terminal Domain Is a Novel Dimerization Motif That Tethers an Extended Get4/Get5 Complex.
J.Biol.Chem., 287, 2012
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8G01
 | | YES Complex - E. coli MraY, Protein E ID21, E. coli SlyD | | Descriptor: | FKBP-type peptidyl-prolyl cis-trans isomerase SlyD, GPE, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Orta, A.K, Clemons, W.M, Riera, N. | | Deposit date: | 2023-01-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The mechanism of the phage-encoded protein antibiotic from Phi X174.
Science, 381, 2023
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8G02
 | | YES Complex - E. coli MraY, Protein E PhiX174, E. coli SlyD | | Descriptor: | Lysis protein E, Peptidyl-prolyl cis-trans isomerase, Phospho-N-acetylmuramoyl-pentapeptide-transferase | | Authors: | Orta, A.K, Clemons, W.M, Li, Y.E. | | Deposit date: | 2023-01-31 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The mechanism of the phage-encoded protein antibiotic from Phi X174.
Science, 381, 2023
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1OMU
 | | SOLUTION STRUCTURE OF OVOMUCOID (THIRD DOMAIN) FROM DOMESTIC TURKEY (298K, PH 4.1) (NMR, 50 STRUCTURES) (REFINED MODEL USING NETWORK EDITING ANALYSIS) | | Descriptor: | OVOMUCOID (THIRD DOMAIN) | | Authors: | Hoogstraten, C.G, Choe, S, Westler, W.M, Markley, J.L. | | Deposit date: | 1995-10-11 | | Release date: | 1996-03-08 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Comparison of the accuracy of protein solution structures derived from conventional and network-edited NOESY data.
Protein Sci., 4, 1995
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1QD7
 | | PARTIAL MODEL FOR 30S RIBOSOMAL SUBUNIT | | Descriptor: | CENTRAL FRAGMENT OF 16 S RNA, END FRAGMENT OF 16 S RNA, S15 RIBOSOMAL PROTEIN, ... | | Authors: | Clemons Jr, W.M, May, J.L.C, Wimberly, B.T, McCutcheon, J.P, Capel, M.S, Ramakrishnan, V. | | Deposit date: | 1999-07-09 | | Release date: | 1999-08-31 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Structure of a bacterial 30S ribosomal subunit at 5.5 A resolution.
Nature, 400, 1999
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6KJ0
 | | Bifunctional xylosidase/glucosidase LXYL mutant E529Q C2221 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-xylosidase/beta-D-glucosidase, Deacetyltaxol, ... | | Authors: | Gong, W.M, Yang, L.Y. | | Deposit date: | 2019-07-20 | | Release date: | 2020-02-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020
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7SPY
 | | Get3 bound to ATP from G. intestinalis in the closed form | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase ASNA1 homolog, MAGNESIUM ION, ... | | Authors: | Fry, M.Y, Maggiolo, A.O, Clemons Jr, W.M. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structurally derived universal mechanism for the catalytic cycle of the tail-anchored targeting factor Get3.
Nat.Struct.Mol.Biol., 29, 2022
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7SPZ
 | | Nucleotide-free Get3 in two open forms | | Descriptor: | ATPase ASNA1 homolog, ZINC ION | | Authors: | Fry, M.Y, Maggiolo, A.O, Clemons Jr, W.M. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structurally derived universal mechanism for the catalytic cycle of the tail-anchored targeting factor Get3.
Nat.Struct.Mol.Biol., 29, 2022
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7SQ0
 | | Get3 bound to ADP and the transmembrane domain of the tail-anchored protein Bos1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase ASNA1 homolog, MAGNESIUM ION, ... | | Authors: | Fry, M.Y, Maggiolo, A.O, Clemons Jr, W.M. | | Deposit date: | 2021-11-04 | | Release date: | 2022-07-20 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structurally derived universal mechanism for the catalytic cycle of the tail-anchored targeting factor Get3.
Nat.Struct.Mol.Biol., 29, 2022
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7UMB
 | | NanoBRET tracer Tram-bo bound to a KSR2-MEK1 complex | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Marsiglia, W.M, Khan, K.M, Dar, A.C. | | Deposit date: | 2022-04-06 | | Release date: | 2023-09-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.231 Å) | | Cite: | Live-cell target engagement of allosteric MEKi on MEK-RAF/KSR-14-3-3 complexes.
Nat.Chem.Biol., 20, 2024
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1A32
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7Q06
 | | Crystal structure of TPADO in complex with 2-OH-TPA | | Descriptor: | 2-Hydroxyterephthalic acid, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2021-10-14 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q05
 | | Crystal structure of TPADO in complex with TPA | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ... | | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2021-10-14 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q04
 | | Crystal structure of TPADO in a substrate-free state | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ... | | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2021-10-14 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1B26
 | | GLUTAMATE DEHYDROGENASE | | Descriptor: | GLUTAMATE DEHYDROGENASE | | Authors: | Knapp, S, Devos, W.M, Rice, D, Ladenstein, R. | | Deposit date: | 1998-12-04 | | Release date: | 1999-12-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of glutamate dehydrogenase from the hyperthermophilic eubacterium Thermotoga maritima at 3.0 A resolution.
J.Mol.Biol., 267, 1997
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1B3B
 | | THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT N97D, G376K | | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | | Authors: | Knapp, S, Lebbink, J.H.G, Van Der Oost, J, Devos, W.M, Rice, D, Ladenstein, R. | | Deposit date: | 1998-12-07 | | Release date: | 1999-12-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. I. Introduction of a six-residue ion-pair network in the hinge region.
J.Mol.Biol., 280, 1998
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2V6E
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2XCN
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-23 | | Release date: | 2010-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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8QAC
 | | X-ray crystal structure of a de novo designed antiparallel coiled-coil 8-helix bundle with 4 heptad repeats, antiparallel 8-helix bundle-GLIA | | Descriptor: | antiparallel 8-helix bundle-GLIA | | Authors: | Albanese, K.I, Dawson, W.M, Petrenas, R, Woolfson, D.N. | | Deposit date: | 2023-08-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
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2VXS
 | | Structure of IL-17A in complex with a potent, fully human neutralising antibody | | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | | Deposit date: | 2008-07-09 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody.
J.Mol.Biol., 394, 2009
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2XNI
 | | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | | Deposit date: | 2010-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
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2VLE
 | | The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase | | Descriptor: | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL, DAIDZIN | | Authors: | Lowe, E.D, Gao, G.Y, Johnson, L.N, Keung, W.M. | | Deposit date: | 2008-01-13 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Daidzin, a Naturally Occurring Anti-Alcohol-Addiction Agent, in Complex with Human Mitochondrial Aldehyde Dehydrogenase.
J.Med.Chem., 51, 2008
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