1Q0B
 
 | | Crystal structure of the motor protein KSP in complex with ADP and monastrol | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, Kinesin-like protein KIF11, ... | | Authors: | Yan, Y, Sardana, V, Xu, B, Halczenko, W, Homnick, C, Buser, C.A, Hartman, G.D, Huber, H.E, Kuo, L.C. | | Deposit date: | 2003-07-15 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of a mitotic motor protein: where, how, and conformational consequences
J.Mol.Biol., 335, 2004
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1Q2O
 | | Bovine endothelial nitric oxide synthase N368D mutant heme domain dimer with L-N(omega)-nitroarginine-2,4-L-diaminobutyramide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2003-07-25 | | Release date: | 2004-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
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1KYX
 | | Lumazine Synthase from S.pombe bound to carboxyethyllumazine | | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | | Authors: | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
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2CHN
 | | Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ... | | Authors: | Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J. | | Deposit date: | 2006-03-15 | | Release date: | 2006-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
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1R6N
 | | HPV11 E2 TAD complex crystal structure | | Descriptor: | 2-METHYL-PROPIONIC ACID, DIMETHYL SULFOXIDE, HPV11 REGULATORY PROTEIN E2, ... | | Authors: | Wang, Y, Coulombe, R. | | Deposit date: | 2003-10-15 | | Release date: | 2004-02-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the E2 Transactivation Domain of Human
Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor
J.Biol.Chem., 279, 2004
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1UKQ
 | | Crystal structure of cyclodextrin glucanotransferase complexed with a pseudo-maltotetraose derived from acarbose | | Descriptor: | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, Cyclomaltodextrin glucanotransferase, ... | | Authors: | Haga, K, Kanai, R, Sakamoto, O, Harata, K, Yamane, K. | | Deposit date: | 2003-09-01 | | Release date: | 2004-02-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Effects of Essential Carbohydrate/Aromatic Stacking Interaction with Tyr100 and Phe259 on Substrate Binding of Cyclodextrin Glycosyltransferase from Alkalophilic Bacillus sp. 1011
J.Biochem.(Tokyo), 134, 2003
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1UKS
 | | Crystal structure of F183L/F259L mutant cyclodextrin glucanotransferase complexed with a pseudo-maltotetraose derived from acarbose | | Descriptor: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-beta-D-galactopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, ... | | Authors: | Haga, K, Kanai, R, Sakamoto, O, Harata, K, Yamane, K. | | Deposit date: | 2003-09-01 | | Release date: | 2004-02-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Effects of Essential Carbohydrate/Aromatic Stacking Interaction with Tyr100 and Phe259 on Substrate Binding of Cyclodextrin Glycosyltransferase from Alkalophilic Bacillus sp. 1011
J.Biochem.(Tokyo), 134, 2003
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1VAG
 | | Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric-oxide synthase, ... | | Authors: | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2004-02-16 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design
Proc.Natl.Acad.Sci.USA, 101, 2004
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1KG9
 | | Structure of a "mock-trapped" early-M intermediate of bacteriorhosopsin | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, RETINAL, bacteriorhodopsin | | Authors: | Facciotti, M.T, Rouhani, S, Burkard, F.T, Betancourt, F.M, Downing, K.H, Rose, R.B, McDermott, G, Glaeser, R.M. | | Deposit date: | 2001-11-26 | | Release date: | 2001-12-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure of an early intermediate in the M-state phase of the bacteriorhodopsin photocycle.
Biophys.J., 81, 2001
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1UTR
 | | UTEROGLOBIN-PCB COMPLEX (REDUCED FORM) | | Descriptor: | 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL, UTEROGLOBIN | | Authors: | Hard, T, Barnes, H.J, Larsson, C, Gustafsson, J.-A, Lund, J. | | Deposit date: | 1995-09-01 | | Release date: | 1995-12-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a mammalian PCB-binding protein in complex with a PCB.
Nat.Struct.Biol., 2, 1995
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1V2K
 | | Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2 | | Descriptor: | CALCIUM ION, SULFATE ION, Trypsin, ... | | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | | Deposit date: | 2003-10-17 | | Release date: | 2004-06-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
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2CB8
 | | High resolution crystal structure of liganded human L-ACBP | | Descriptor: | 2-METHOXYETHANOL, ACYL-COA-BINDING PROTEIN, SULFATE ION, ... | | Authors: | Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K. | | Deposit date: | 2006-01-03 | | Release date: | 2006-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High Resolution Crystal Structures of Unliganded and Liganded Human Liver Acbp Reveal a New Mode of Binding for the Acyl-Coa Ligand.
Proteins: Struct., Funct., Bioinf., 66, 2007
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1VAF
 | | Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric oxide synthase, ... | | Authors: | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | | Deposit date: | 2004-02-16 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design
Proc.Natl.Acad.Sci.USA, 101, 2004
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1Y5N
 | | The crystal structure of the NarGHI mutant NarI-K86A in complex with pentachlorophenol | | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, FE3-S4 CLUSTER, ... | | Authors: | Bertero, M.G, Rothery, R.A, Boroumand, N, Palak, M, Blasco, F, Ginet, N, Weiner, J.H, Strynadka, N.C.J. | | Deposit date: | 2004-12-02 | | Release date: | 2005-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A
J.Biol.Chem., 280, 2005
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1PR6
 | | Escherichia coli Purine Nucleoside Phosphorylase Complexed with 9-beta-D-xylofuranosyladenine and Phosphate/Sulfate | | Descriptor: | 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | | Authors: | Bennett, E.M, Li, C, Allan, P.W, Parker, W.B, Ealick, S.E. | | Deposit date: | 2003-06-19 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase.
J.Biol.Chem., 278, 2003
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1V55
 | | Bovine heart cytochrome c oxidase at the fully reduced state | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimokata, K, Katayama, Y, Shimada, H, Muramoto, K, Aoyama, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yao, M, Ishimura, Y, Yoshikawa, S. | | Deposit date: | 2003-11-21 | | Release date: | 2003-12-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The low-spin heme of cytochrome c oxidase as the driving element of the proton-pumping process.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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1PQQ
 | | NMR Structure of a Cyclic Polyamide-DNA Complex | | Descriptor: | 45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE, 5'-D(*CP*GP*CP*TP*AP*AP*CP*AP*GP*GP*C)-3', 5'-D(*GP*CP*CP*TP*GP*TP*TP*AP*GP*CP*G)-3' | | Authors: | Zhang, Q, Dwyer, T.J, Tsui, V, Case, D.A, Cho, J, Dervan, P.B, Wemmer, D.E. | | Deposit date: | 2003-06-18 | | Release date: | 2004-06-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of a Cyclic Polyamide-DNA Complex.
J.Am.Chem.Soc., 126, 2004
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1ZZR
 | | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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1PR5
 | | Escherichia coli Purine Nucleoside Phosphorylase Complexed with 7-deazaadenosine and Phosphate/Sulfate | | Descriptor: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type | | Authors: | Bennett, E.M, Li, C, Allan, P.W, Parker, W.B, Ealick, S.E. | | Deposit date: | 2003-06-19 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for substrate specificity of Escherichia coli purine nucleoside phosphorylase.
J.Biol.Chem., 278, 2003
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1ZZT
 | | Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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2AT9
 | | STRUCTURE OF BACTERIORHODOPSIN AT 3.0 ANGSTROM BY ELECTRON CRYSTALLOGRAPHY | | Descriptor: | 3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL, BACTERIORHODOPSIN, RETINAL | | Authors: | Mitsuoka, K, Hirai, T, Murata, K, Miyazawa, A, Kidera, A, Kimura, Y, Fujiyoshi, Y. | | Deposit date: | 1998-12-17 | | Release date: | 1999-04-27 | | Last modified: | 2024-06-05 | | Method: | ELECTRON CRYSTALLOGRAPHY (3 Å) | | Cite: | The structure of bacteriorhodopsin at 3.0 A resolution based on electron crystallography: implication of the charge distribution.
J.Mol.Biol., 286, 1999
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2BDB
 | | Porcine pancreatic elastase complexed with Asn-Pro-Ile and Ala-Ala at pH 5.0 | | Descriptor: | ALANINE, CALCIUM ION, Elastase-1, ... | | Authors: | Liu, B, Schofield, C.J, Wilmouth, R.C. | | Deposit date: | 2005-10-20 | | Release date: | 2006-05-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural analyses on intermediates in serine protease catalysis
J.Biol.Chem., 281, 2006
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2BDC
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2CUU
 | | Crystal structure of spin labeled T4 Lysozyme (V131R1) | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ... | | Authors: | Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L. | | Deposit date: | 2005-05-28 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural origin of weakly ordered nitroxide motion in spin-labeled proteins
Protein Sci., 18, 2009
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1NE6
 | | Crystal structure of Sp-cAMP binding R1a subunit of cAMP-dependent protein kinase | | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, cAMP-dependent protein kinase type I-alpha regulatory chain | | Authors: | Wu, J, Jones, J.M, Xuong, N.H, Taylor, S.S. | | Deposit date: | 2002-12-10 | | Release date: | 2004-01-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of RIalpha Subunit of Cyclic Adenosine 5'-Monophosphate (cAMP)-Dependent Protein Kinase Complexed with (R(p))-Adenosine 3',5'-Cyclic Monophosphothioate and (S(p))-Adenosine 3',5'-Cyclic Monophosphothioate, the Phosphothioate Analogues of cAMP.
Biochemistry, 43, 2004
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