1O3J
 
 | | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE, BETA-TRYPSIN, CALCIUM ION | | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. | | Deposit date: | 2003-03-06 | | Release date: | 2003-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease
inhibitors.
J.Mol.Biol., 329, 2003
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2ZY2
 | | dodecameric L-aspartate beta-decarboxylase | | Descriptor: | L-aspartate 4-carboxylyase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chen, H.-J, Ko, T.-P, Lee, C.-Y, Wang, N.-C, Wang, A.H.-J. | | Deposit date: | 2009-01-13 | | Release date: | 2009-01-27 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure, Assembly, and Mechanism of a PLP-Dependent Dodecameric l-Aspartate beta-Decarboxylase
Structure, 17, 2009
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6Z6A
 | | Keap1 macrocycle complex | | Descriptor: | (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ... | | Authors: | Johansson, P. | | Deposit date: | 2020-05-28 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Mining Natural Products for Macrocycles to Drug Difficult Targets.
J.Med.Chem., 64, 2021
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2ZYI
 | | A. Fulgidus lipase with fatty acid fragment and calcium | | Descriptor: | CALCIUM ION, Lipase, putative, ... | | Authors: | Chen, C.K, Ko, T.P, Guo, R.T, Wang, A.H. | | Deposit date: | 2009-01-22 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding.
J.Mol.Biol., 390, 2009
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2N6Y
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3R5P
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | | Descriptor: | Deazaflavin-dependent nitroreductase, SULFATE ION | | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | Deposit date: | 2011-03-19 | | Release date: | 2012-01-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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2NCD
 | | NCD (NON-CLARET DISJUNCTIONAL) DIMER FROM D. MELANOGASTER | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PROTEIN (Kinesin motor NCD), SULFATE ION | | Authors: | Sablin, E.P, Case, R.B, Dai, S.C, Hart, C.L, Ruby, A, Vale, R.D, Fletterick, R.J. | | Deposit date: | 1999-06-04 | | Release date: | 1999-06-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Direction determination in the minus-end-directed kinesin motor ncd.
Nature, 395, 1998
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1NT3
 | | HUMAN NEUROTROPHIN-3 | | Descriptor: | PROTEIN (NEUROTROPHIN-3) | | Authors: | Butte, M.J, Hwang, P.K, Mobley, W.C, Fletterick, R.J. | | Deposit date: | 1999-05-17 | | Release date: | 1999-06-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of neurotrophin-3 homodimer shows distinct regions are used to bind its receptors.
Biochemistry, 37, 1998
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6RSE
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7LAO
 | | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION | | Authors: | Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-01-06 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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7LGP
 | | DapE enzyme from Shigella flexneri | | Descriptor: | CHLORIDE ION, SODIUM ION, Succinyl-diaminopimelate desuccinylase, ... | | Authors: | Osipiuk, J, Endres, M, Becker, D.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-01-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | DapE enzyme from Shigella flexneri
To Be Published
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3AF0
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GDP and Pantothenate | | Descriptor: | CHLORIDE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chetnani, B, Kumar, P, Surolia, A, Vijayan, M. | | Deposit date: | 2010-02-19 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
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6Z3W
 | | Human ER membrane protein complex | | Descriptor: | ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1,ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ... | | Authors: | Hegde, R.S, O'Donnell, J.P. | | Deposit date: | 2020-05-22 | | Release date: | 2020-07-15 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | The architecture of EMC reveals a path for membrane protein insertion.
Elife, 9, 2020
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1AFT
 | | SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE RIBONUCLEOTIDE REDUCTASE AS BOUND TO THE LARGE SUBUNIT, NMR, 26 STRUCTURES | | Descriptor: | RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE | | Authors: | Laub, P.B, Fisher, A.L, Furst, G.T, Barwis, B.A, Hamann, C.S, Cooperman, B.S. | | Deposit date: | 1997-03-13 | | Release date: | 1997-05-15 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | NMR structure of an inhibitory R2 C-terminal peptide bound to mouse ribonucleotide reductase R1 subunit.
Nat.Struct.Biol., 2, 1995
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2NPT
 | | Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox) | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 5, Mitogen-activated protein kinase kinase kinase 2 | | Authors: | Filippakopoulos, P, Debreczeni, J, Papagrigoriou, V, Turnbull, A, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-30 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)
To be Published
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8IM6
 | | Crystal structure of HCoV 229E main protease in complex with PF07304814 | | Descriptor: | 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate | | Authors: | Zhou, Y.R, Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2023-03-06 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
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2NA5
 | | NMR solution structure of vitamin B12 conjugates of PYY3-36 | | Descriptor: | CYANOCOBALAMIN, Peptide YY | | Authors: | Doyle, R.P, Henry, K.E, Roth, C.L, Kerwood, D.J, Allis, D.G, Holz, G.G, Zubieta, J. | | Deposit date: | 2015-12-21 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Constrained Molecular Dynamics Study of Vitamin B12 Conjugates of the Anorectic Peptide PYY(3-36).
Chemmedchem, 11, 2016
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6OBV
 | | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases | | Descriptor: | fluvirucin B1 DH domain from module 1 | | Authors: | McAndrew, R.P, Barajas, J.F, Pereira, J.H, Keasling, J.D, Adams, P.D. | | Deposit date: | 2019-03-21 | | Release date: | 2019-06-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases.
J Ind Microbiol Biotechnol., 46, 2019
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3VCP
 | | The 2.2 Angstrom structure of Stc2 with proline bound in the active site | | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, PROLINE, ... | | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | | Deposit date: | 2012-01-04 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase.
J.Am.Chem.Soc., 134, 2012
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7LGO
 | | Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2 | | Descriptor: | Non-structural protein 3 | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-01-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the nucleic acid binding domain (NAB) of Nsp3 from SARS-CoV-2
To Be Published
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2ZWY
 | | alpha-L-fucosidase | | Descriptor: | Alpha-L-fucosidase, putative | | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | | Deposit date: | 2008-12-18 | | Release date: | 2009-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis of alpha-Fucosidase Inhibition by Iminocyclitols with Ki Ranging from Micro- to Picomolar
To be Published
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3W27
 | | The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylobiose | | Descriptor: | Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | | Authors: | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
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1AIP
 | | EF-TU EF-TS COMPLEX FROM THERMUS THERMOPHILUS | | Descriptor: | ELONGATION FACTOR TS, ELONGATION FACTOR TU | | Authors: | Wang, Y, Jiang, Y, Meyering-Voss, M, Sprinzl, M, Sigler, P.B. | | Deposit date: | 1997-04-22 | | Release date: | 1997-10-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the EF-Tu.EF-Ts complex from Thermus thermophilus.
Nat.Struct.Biol., 4, 1997
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6S0S
 | | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ... | | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
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2ZX7
 | | alpha-L-fucosidase complexed with inhibitor, F10-2C | | Descriptor: | Alpha-L-fucosidase, putative, N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide | | Authors: | Wu, H.-J, Ko, T.-P, Ho, C.-W, Lin, C.-H, Wang, A.H.-J. | | Deposit date: | 2008-12-19 | | Release date: | 2009-12-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural basis of alpha-fucosidase inhibition by iminocyclitols with K(i) values in the micro- to picomolar range.
Angew.Chem.Int.Ed.Engl., 49, 2010
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