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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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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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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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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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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6C9Y
 | | Cryo-EM structure of E. coli RNAP sigma70 holoenzyme | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Narayanan, A, Vago, F, Li, K, Qayyum, M.Z, Yenool, D, Jiang, W, Murakami, K.S. | | Deposit date: | 2018-01-29 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.25 Å) | | Cite: | Cryo-EM structure ofEscherichia colisigma70RNA polymerase and promoter DNA complex revealed a role of sigma non-conserved region during the open complex formation.
J. Biol. Chem., 293, 2018
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1FTN
 | | CRYSTAL STRUCTURE OF THE HUMAN RHOA/GDP COMPLEX | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, TRANSFORMING PROTEIN RHOA (H12) | | Authors: | Wei, Y, Zhang, Y, Derewenda, U, Liu, X, Minor, W, Nakamoto, R.K, Somlyo, A.V, Somlyo, A.P, Derewenda, Z.S. | | Deposit date: | 1997-03-13 | | Release date: | 1998-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of RhoA-GDP and its functional implications.
Nat.Struct.Biol., 4, 1997
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1GI6
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(2-HYDROXY-PHENYL)-1H-INDOLE-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 (1.49 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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6BY9
 | | Crystal structure of EHMT1 | | Descriptor: | Histone-lysine N-methyltransferase EHMT1, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Wei, Y, Li, A, Tempel, W, Han, S, Sunnerhagen, M, Penn, L, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-12-20 | | Release date: | 2018-01-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of EHMT1
to be published
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6C8J
 | | RNA-activated 2-AIpG monomer complex, 15 min soaking | | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine, 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 (1.5 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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6C8N
 | | RNA-activated 2-AIpG monomer complex, 2h soaking | | Descriptor: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine, MAGNESIUM ION, ... | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-25 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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6C53
 | | Cryo-EM structure of the Type 1 pilus rod | | Descriptor: | Type-1 fimbrial protein, A chain | | Authors: | Zheng, W, Wang, F, Luna-Rico, A, Francetic, O, Hultgren, S.J, Egelman, E.H. | | Deposit date: | 2018-01-13 | | Release date: | 2018-01-31 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Functional role of the type 1 pilus rod structure in mediating host-pathogen interactions.
Elife, 7, 2018
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6CAB
 | | RNA-dGMP complex with Sr ion | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), STRONTIUM ION | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-29 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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