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3PFL
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BU of 3pfl by Molmil
CRYSTAL STRUCTURE OF PFL FROM E.COLI IN COMPLEX WITH SUBSTRATE ANALOGUE OXAMATE
Descriptor: OXAMIC ACID, PROTEIN (FORMATE ACETYLTRANSFERASE 1)
Authors:Becker, A, Fritz-Wolf, K, Kabsch, W, Knappe, J, Schultz, S, Wagner, A.F.V.
Deposit date:1999-05-14
Release date:2000-05-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of the glycyl radical enzyme pyruvate formate-lyase.
Nat.Struct.Biol., 6, 1999
1HJI
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BU of 1hji by Molmil
BACTERIOPHAGE HK022 NUN-PROTEIN-NUTBOXB-RNA COMPLEX
Descriptor: NUN-PROTEIN, RNA (5-R(P*GP*CP*CP*CP*UP*GP*AP*AP*AP*AP*AP*GP*GP*GP*C)-3)
Authors:Faber, C, Schaerpf, M, Becker, T, Sticht, H, Roesch, P.
Deposit date:2001-01-15
Release date:2002-01-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Structure of the Coliphage Hk022 Nun Protein-Lambda-Phage Boxb RNA Complex. Implications for the Mechanism of Transcription Termination
J.Biol.Chem., 276, 2001
3RQN
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BU of 3rqn by Molmil
Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3*R*,4*R*)-4-(2-(((*S* )-1-(3-fluorophenyl)propan-2-yl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2011-04-28
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 21, 2013
3RZ3
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BU of 3rz3 by Molmil
Human Cdc34 E2 in complex with CC0651 inhibitor
Descriptor: 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid, Ubiquitin-conjugating enzyme E2 R1
Authors:Ceccarelli, D.F, Webb, D.R, Sicheri, F.
Deposit date:2011-05-11
Release date:2011-07-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An allosteric inhibitor of the human cdc34 ubiquitin conjugating enzyme
Cell(Cambridge,Mass.), 145, 2011
3RYI
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BU of 3ryi by Molmil
GDP-Tubulin: rb3 stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nawrotek, A, Knossow, M, Gigant, B.
Deposit date:2011-05-11
Release date:2011-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Determinants That Govern Microtubule Assembly from the Atomic Structure of GTP-Tubulin.
J.Mol.Biol., 412, 2011
3PAW
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BU of 3paw by Molmil
Low resolution X-ray crystal structure of Yeast Rnr1p with dATP bound in the A-site
Descriptor: Ribonucleoside-diphosphate reductase large chain 1
Authors:Fairman, J.W, Wijerathna, S.R, Dealwis, C.G.
Deposit date:2010-10-19
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6.61 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3OLH
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BU of 3olh by Molmil
Human 3-mercaptopyruvate sulfurtransferase
Descriptor: 3-mercaptopyruvate sulfurtransferase, SODIUM ION, SULFATE ION
Authors:Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-08-26
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human 3-Mercaptopyruvate Sulfurtransferase
To be Published
3OM3
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BU of 3om3 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with K362M mutation in the reduced state
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-26
Release date:2011-02-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
1G6V
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BU of 1g6v by Molmil
Complex of the camelid heavy-chain antibody fragment CAB-CA05 with bovine carbonic anhydrase
Descriptor: ANTIBODY HEAVY CHAIN, CARBONIC ANHYDRASE, ZINC ION
Authors:Desmyter, A, Decanniere, K, Muyldermans, S, Wyns, L.
Deposit date:2000-11-08
Release date:2000-11-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Antigen specificity and high affinity binding provided by one single loop of a camel single-domain antibody.
J.Biol.Chem., 276, 2001
3RYB
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BU of 3ryb by Molmil
Lactococcal OppA complexed with SLSQSLSQS
Descriptor: Oligopeptide, Oligopeptide-binding protein oppA
Authors:Berntsson, R.P.-A, Thunnissen, A.-M.W.H, Poolman, B, Slotboom, D.-J.
Deposit date:2011-05-11
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Importance of a Hydrophobic Pocket for Peptide Binding in Lactococcal OppA.
J.Bacteriol., 193, 2011
3RZE
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BU of 3rze by Molmil
Structure of the human histamine H1 receptor in complex with doxepin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ...
Authors:Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR)
Deposit date:2011-05-11
Release date:2011-06-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
1KMZ
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BU of 1kmz by Molmil
MOLECULAR BASIS OF MITOMYCIN C RESICTANCE IN STREPTOMYCES: CRYSTAL STRUCTURES OF THE MRD PROTEIN WITH AND WITHOUT A DRUG DERIVATIVE
Descriptor: mitomycin-binding protein
Authors:Martin, T.W, Dauter, Z, Devedjiev, Y, Sheffield, P, Jelen, F, He, M, Sherman, D, Otlewski, J, Derewenda, Z.S, Derewenda, U.
Deposit date:2001-12-17
Release date:2002-07-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of mitomycin C resistance in streptomyces: structure and function of the MRD protein.
Structure, 10, 2002
3RYC
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BU of 3ryc by Molmil
Tubulin: RB3 stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nawrotek, A, Knossow, M, Gigant, B.
Deposit date:2011-05-11
Release date:2011-10-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Determinants That Govern Microtubule Assembly from the Atomic Structure of GTP-Tubulin.
J.Mol.Biol., 412, 2011
3S33
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BU of 3s33 by Molmil
Structure of Thermus thermophilus cytochrome ba3 oxidase 10s after Xe depressurization
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D.
Deposit date:2011-05-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.45 Å)
Cite:Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
3S3C
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BU of 3s3c by Molmil
Structure of Thermus thermophilus cytochrome ba3 oxidase 360s after Xe depressurization
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D.
Deposit date:2011-05-18
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase.
Biochemistry, 51, 2012
3RYA
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BU of 3rya by Molmil
Lactococcal OppA complexed with SLSQLSSQS
Descriptor: Oligopeptide, Oligopeptide-binding protein oppA
Authors:Berntsson, R.P.-A, Thunnissen, A.-M.W.H, Poolman, B, Slotboom, D.-J.
Deposit date:2011-05-11
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Importance of a Hydrophobic Pocket for Peptide Binding in Lactococcal OppA.
J.Bacteriol., 193, 2011
3S8B
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BU of 3s8b by Molmil
Structure of Yeast Ribonucleotide Reductase 1 with AMPPNP and CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published
6QFM
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BU of 6qfm by Molmil
Structure of human Mcl-1 in complex with PUMA BH3 peptide
Descriptor: Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QFS
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BU of 6qfs by Molmil
Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ...
Authors:Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R.
Deposit date:2019-01-10
Release date:2019-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Charge Interactions in a Highly Charge-depleted Protein
J.Am.Chem.Soc., 2021
5GAH
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BU of 5gah by Molmil
RNC in complex with SRP with detached NG domain
Descriptor: 1A9L SS, 23S rRNA, 50S ribosomal protein L10, ...
Authors:Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N.
Deposit date:2015-11-26
Release date:2016-01-27
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon.
Nat Commun, 7, 2016
6QGH
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BU of 6qgh by Molmil
Structure of human Bcl-2 in complex with ABT-263
Descriptor: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGJ
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BU of 6qgj by Molmil
Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid
Descriptor: 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-11
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
5Y9Z
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BU of 5y9z by Molmil
Crystal structure of rat hematopoietic prostaglandin D synthase
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, GLUTATHIONE, ...
Authors:Kamo, M, Furubayashi, N, Inaka, K, Tanaka, H, Aritake, K, Urade, Y.
Deposit date:2017-08-29
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal structure of rat hematopoietic prostaglandin D synthase
To Be Published
4E43
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BU of 4e43 by Molmil
HIV protease (PR) dimer with acetate in exo site and peptide in active site
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2012-03-11
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
4DCB
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BU of 4dcb by Molmil
Y. pestis Plasminogen Activator Pla in Complex with Human Plasminogen Activation Loop Peptide ALP11
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ...
Authors:Eren, E, van den Berg, B.
Deposit date:2012-01-17
Release date:2012-06-06
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Structural basis for activation of an integral membrane protease by lipopolysaccharide.
J.Biol.Chem., 287, 2012

238582

数据于2025-07-09公开中

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