6BUH
 
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1FI7
 | | Solution structure of the imidazole complex of cytochrome C | | Descriptor: | CYTOCHROME C, HEME C, IMIDAZOLE | | Authors: | Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D. | | Deposit date: | 2000-08-03 | | Release date: | 2000-08-23 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c
J.Biol.Inorg.Chem., 6, 2001
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6C8D
 | | RNA-dGMP complex with Mg ion | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-24 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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6BKY
 | | Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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6BM2
 | | Pol II elongation complex with an abasic lesion at i-1 position | | Descriptor: | DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Wang, W, Wang, D. | | Deposit date: | 2017-11-13 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.403 Å) | | Cite: | Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BS2
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-12-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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6BNS
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | | Deposit date: | 2017-11-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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1K27
 | | Crystal Structure of 5'-Deoxy-5'-Methylthioadenosine Phosphorylase in Complex with a Transition State Analogue | | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-Deoxy-5'-Methylthioadenosine Phosphorylase, PHOSPHATE ION | | Authors: | Shi, W, Singh, V, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | | Deposit date: | 2001-09-26 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Picomolar transition state analogue inhibitors of human 5'-methylthioadenosine phosphorylase and X-ray structure with MT-immucillin-A
Biochemistry, 43, 2004
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1FPU
 | | CRYSTAL STRUCTURE OF ABL KINASE DOMAIN IN COMPLEX WITH A SMALL MOLECULE INHIBITOR | | Descriptor: | N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL | | Authors: | Schindler, T, Bornmann, W, Pellicena, P, Miller, W.T, Clarkson, B, Kuriyan, J. | | Deposit date: | 2000-08-31 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural mechanism for STI-571 inhibition of abelson tyrosine kinase.
Science, 289, 2000
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1JH6
 | | Semi-reduced Cyclic Nucleotide Phosphodiesterase from Arabidopsis thaliana | | Descriptor: | SULFATE ION, cyclic phosphodiesterase | | Authors: | Hofmann, A, Grella, M, Botos, I, Filipowicz, W, Wlodawer, A. | | Deposit date: | 2001-06-27 | | Release date: | 2002-02-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of the semireduced and inhibitor-bound forms of cyclic nucleotide phosphodiesterase from Arabidopsis thaliana.
J.Biol.Chem., 277, 2002
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1FQK
 | | CRYSTAL STRUCTURE OF THE HETERODIMERIC COMPLEX OF THE RGS DOMAIN OF RGS9, AND THE GT/I1 CHIMERA ALPHA SUBUNIT [(RGS9)-(GT/I1ALPHA)-(GDP)-(ALF4-)-(MG2+)] | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(t) subunit alpha-1,Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(t) subunit alpha-1, MAGNESIUM ION, ... | | Authors: | Slep, K.C, Kercher, M.A, He, W, Cowan, C.W, Wensel, T.G, Sigler, P.B. | | Deposit date: | 2000-09-05 | | Release date: | 2001-02-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants for regulation of phosphodiesterase by a G protein at 2.0 A.
Nature, 409, 2001
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6BOF
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1FPM
 | | MONOVALENT CATION BINDING SITES IN N10-FORMYLTETRAHYDROFOLATE SYNTHETASE FROM MOORELLA THERMOACETICA | | Descriptor: | CESIUM ION, FORMATE--TETRAHYDROFOLATE LIGASE, SULFATE ION | | Authors: | Radfar, R, Leaphart, A, Brewer, J.M, Minor, W, Odom, J.D. | | Deposit date: | 2000-08-31 | | Release date: | 2001-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cation binding and thermostability of FTHFS monovalent cation binding sites and thermostability of N10-formyltetrahydrofolate synthetase from Moorella thermoacetica.
Biochemistry, 39, 2000
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6BQF
 | | Pol II elongation complex with 'dT-AP' at i+1, i-1 position | | Descriptor: | DNA (5'-D(P*CP*TP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Wang, W, Wang, D. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BRY
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a | | Descriptor: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-12-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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6BTI
 | | Crystal structure of human cellular retinol binding protein 2 (CRBP2) in complex with N-arachidonoylethanolamine (AEA) | | Descriptor: | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide, DI(HYDROXYETHYL)ETHER, Retinol-binding protein 2 | | Authors: | Silvaroli, J.A, Blaner, W.S, Lodowski, D.T, Golczak, M. | | Deposit date: | 2017-12-06 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Retinol-binding protein 2 (RBP2) binds monoacylglycerols and modulates gut endocrine signaling and body weight.
Sci Adv, 6, 2020
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6C1Y
 | | mbd of human mecp2 in complex with methylated DNA | | Descriptor: | 12-mer DNA, Methyl-CpG-binding protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Bian, C, Tempel, W, Wernimont, A.K, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain.
Biochim Biophys Acta Gene Regul Mech, 1862, 2019
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1KJU
 | | Ca2+-ATPase in the E2 State | | Descriptor: | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1a | | Authors: | Xu, C, Rice, W.J, He, W, Stokes, D.L. | | Deposit date: | 2001-12-05 | | Release date: | 2001-12-19 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | A structural model for the catalytic cycle of Ca(2+)-ATPase.
J.Mol.Biol., 316, 2002
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1KM2
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1G8X
 | | STRUCTURE OF A GENETICALLY ENGINEERED MOLECULAR MOTOR | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN II HEAVY CHAIN FUSED TO ALPHA-ACTININ 3 | | Authors: | Kliche, W, Fujita-Becker, S, Kollmar, M, Manstein, D.J, Kull, F.J. | | Deposit date: | 2000-11-21 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of a genetically engineered molecular motor.
EMBO J., 20, 2001
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1GI1
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, BETA-TRYPSIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | Deposit date: | 2001-01-22 | | Release date: | 2002-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
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6C2U
 | | Solution structure of a phosphate-loop protein | | Descriptor: | phosphate-loop protein | | Authors: | Yang, F, Yang, W, Lin, Y.R, Romero Romero, M.L, Tawfik, D, Baker, D, Varani, G. | | Deposit date: | 2018-01-09 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Simple yet functional phosphate-loop proteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1KO7
 | | X-ray structure of the HPr kinase/phosphatase from Staphylococcus xylosus at 1.95 A resolution | | Descriptor: | Hpr kinase/phosphatase, PHOSPHATE ION | | Authors: | Marquez, J.A, Hasenbein, S, Koch, B, Fieulaine, S, Nessler, S, Hengstenberg, W, Scheffzek, K. | | Deposit date: | 2001-12-20 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the full-length HPr kinase/phosphatase from Staphylococcus xylosus at 1.95 A resolution: Mimicking the product/substrate of the phospho transfer reactions.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1KOU
 | | Crystal Structure of the Photoactive Yellow Protein Reconstituted with Caffeic Acid at 1.16 A Resolution | | Descriptor: | CAFFEIC ACID, N-BUTANE, PHOTOACTIVE YELLOW PROTEIN | | Authors: | van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L. | | Deposit date: | 2001-12-22 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure of the photoactive yellow protein reconstituted with caffeic acid at 1.16 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
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1KP6
 | | USTILAGO MAYDIS KILLER TOXIN KP6 ALPHA-SUBUNIT | | Descriptor: | PROTEIN (TOXIN), SULFATE ION | | Authors: | Li, N, Erman, M, Pangborn, W, Duax, W.L, Park, C.-M, Bruenn, J, Ghosh, D. | | Deposit date: | 1999-05-28 | | Release date: | 1999-07-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Ustilago maydis killer toxin KP6 alpha-subunit. A multimeric assembly with a central pore.
J.Biol.Chem., 274, 1999
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